data_2l7a_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 2l7a _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 ' 798' ' ' TYR . . . . . 0.439 ' CZ ' HG12 ' A' ' 840' ' ' ILE . 15.5 m-85 . . . . . 0 CA--C 1.522 -0.12 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.26 -41.0 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.418 -165.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -63.31 -42.11 99.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.715 0.293 . . . . 0.0 110.72 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . 0.543 ' HB1' HD22 ' A' ' 836' ' ' LEU . . . -76.95 -40.5 46.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.2 p -65.68 -39.51 91.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.584 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -54.47 -44.94 73.03 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.203 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.479 ' O ' HG22 ' A' ' 808' ' ' VAL . 23.8 m -58.79 -54.11 50.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.456 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.691 ' HB ' HG22 ' A' ' 901' ' ' THR . 74.2 mt -60.72 -50.17 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.697 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -55.5 -38.33 69.02 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.607 0.241 . . . . 0.0 111.325 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.6 m -76.74 -50.08 14.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.485 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.582 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 86.3 t -61.07 -32.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.301 -176.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 71.1 m -53.34 -47.58 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.258 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.95 -26.86 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.151 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 89.6 m-20 -67.98 -28.58 67.56 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.473 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.573 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -67.5 -37.02 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.04 0.447 . . . . 0.0 110.382 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.423 ' HA ' ' HE2' ' A' ' 816' ' ' MET . 97.5 m-85 -73.71 -28.04 61.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.101 0.476 . . . . 0.0 110.199 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 25.4 t -76.33 -42.74 43.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 31.8 p -80.69 -7.35 59.3 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.693 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.7 ttm -48.02 110.56 0.34 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.41 -32.13 2.88 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.0 t70 -101.31 110.36 22.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.729 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.76 -52.58 59.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.378 -172.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.72 -46.12 76.36 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.271 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 37.9 tt0 -72.11 -35.51 69.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.949 0.375 . . . . 0.0 111.409 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.693 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 81.2 mtp -62.67 -49.83 73.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 111.012 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.542 HG23 ' HA ' ' A' ' 875' ' ' LYS . 56.1 t -62.73 -34.92 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 821' ' ' GLU . 40.2 ttm180 -55.19 -47.31 75.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.864 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.573 ' HB2' HG13 ' A' ' 812' ' ' ILE . 72.3 mm-40 -64.3 -40.07 95.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.74 93.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.052 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.1 mtt180 -61.9 -36.05 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.319 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.1 mt -66.43 -43.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.237 177.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 805' ' ' ILE . 28.0 mt -60.03 -46.22 90.25 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.772 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.94 -48.09 82.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.47 -49.76 76.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.719 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.08 94.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.479 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.544 HG21 ' HG ' ' A' ' 863' ' ' LEU . 87.9 m -64.44 -36.61 84.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.491 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.2 m -60.13 -36.78 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.61 -47.38 85.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.969 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.543 HD22 ' HB1' ' A' ' 801' ' ' ALA . 49.7 mt -68.34 -46.2 70.81 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.213 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 833' ' ' THR . 92.0 t -52.23 -44.17 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.409 . . . . 0.0 111.081 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -76.4 -33.01 58.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.036 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -71.38 -50.66 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 836' ' ' LEU . 73.5 mt -54.09 -40.83 47.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.405 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.97 -51.78 68.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.9 77.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.23 -35.81 71.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.251 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.02 96.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.805 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.3 -17.14 63.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.702 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.5 -19.44 62.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.083 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.08 145.46 48.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 11.2 t -97.0 36.87 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.907 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -143.71 133.84 24.32 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.026 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.611 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -68.06 -56.09 10.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.486 -178.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -58.68 -45.7 88.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.44 -35.48 81.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.9 t -67.5 -43.49 80.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 79.8 mtp180 -61.11 -40.14 92.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.376 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.38 -45.59 90.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.12 -48.76 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.67 -38.4 78.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.77 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.8 t -68.53 -43.11 77.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.348 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.58 90.23 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.79 99.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 110.601 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.7 -42.6 97.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.749 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.34 -49.25 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.178 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.544 ' HG ' HG21 ' A' ' 833' ' ' THR . 12.1 tp -57.15 -56.87 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.6 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.93 -29.21 55.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.653 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.86 -37.56 19.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.355 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -57.63 -38.6 75.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 7.6 m -68.12 -47.91 66.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.066 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.32 -47.61 78.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.42 -43.03 95.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.633 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.447 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.6 OUTLIER -59.24 -55.78 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.47 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.471 HG12 ' HE3' ' A' ' 875' ' ' LYS . 53.7 t -57.06 -44.92 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.617 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.67 -38.29 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 0.0 111.102 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.98 -40.07 72.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.543 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.89 97.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.542 ' HA ' HG23 ' A' ' 823' ' ' VAL . 96.7 mttt -54.97 -50.09 69.8 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.4 -41.58 77.11 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.871 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . 0.512 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.01 -26.66 65.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.88 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.729 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -79.55 -61.42 2.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.563 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.4 75.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -106.54 82.03 0.94 Allowed Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.75 -51.49 2.37 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.779 2.319 . . . . 0.0 113.578 -167.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.66 -17.49 59.11 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 61.5 m -59.41 123.76 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.352 0.596 . . . . 0.0 112.186 -174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.43 -54.55 22.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.756 -173.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 889' ' ' ARG . 46.6 mt-10 -59.75 -39.69 85.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.351 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . 0.512 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 13.9 mm100 -60.04 -42.95 95.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.8 mm-40 -65.41 -47.82 74.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.536 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -58.95 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.859 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 885' ' ' GLU . 16.0 ptp180 -62.56 -34.34 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.28 -46.25 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.566 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.9 mtt180 -53.01 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -74.01 -40.95 62.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.457 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.55 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.134 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -66.73 -43.35 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.945 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 899' ' ' MET . 44.8 mt-10 -67.58 -35.04 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.491 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.37 98.72 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.512 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.458 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.6 tm? -62.14 -39.26 92.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.85 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -62.83 -45.16 93.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.228 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 899' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 895' ' ' GLU . 26.4 mmt -60.41 -53.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.838 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.33 84.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.524 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.691 HG22 ' HB ' ' A' ' 805' ' ' ILE . 56.8 m -65.64 -45.54 82.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.454 ' HB2' HD11 ' A' ' 806' ' ' LEU . 64.0 t30 -65.6 -31.11 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.2 0.524 . . . . 0.0 110.18 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.45 61.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.649 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.58 -36.82 74.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.025 0.441 . . . . 0.0 110.125 176.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.357 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -75.3 -37.43 60.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.394 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -82.31 -4.97 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.874 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 -178.829 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.483 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 3.8 m-85 . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.57 -23.99 64.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -167.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -73.91 -48.06 33.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.82 76.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.017 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 11.8 p -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.36 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.04 -40.76 59.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 808' ' ' VAL . 66.1 m -69.3 -48.72 60.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.312 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.716 HD12 HD13 ' A' ' 836' ' ' LEU . 65.5 mt -60.97 -45.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.341 -177.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.8 mm? -55.75 -44.73 77.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.644 0.259 . . . . 0.0 110.51 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' THR . . . . . 0.434 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 31.1 m -65.15 -47.14 78.1 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.393 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 804' ' ' THR . 60.1 t -62.63 -35.39 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 110.551 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' ' 898' ' ' ARG . 95.8 m -58.63 -47.96 82.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 111.145 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 35.9 mt-10 -59.98 -26.51 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.472 ' HB3' HE21 ' A' ' 825' ' ' GLN . 6.3 m-80 -69.89 -23.13 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.798 -175.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.484 ' CG2' HD22 ' A' ' 890' ' ' LEU . 3.0 mp -65.18 -41.99 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.492 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.28 -27.58 65.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.7 m -76.1 -28.35 57.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.313 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 32.1 m -83.83 -3.48 57.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.3 mmt -47.54 124.3 6.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.157 0.503 . . . . 0.0 111.738 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.36 -67.53 0.54 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.782 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -86.02 128.97 34.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.622 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 878' ' ' ALA . . . -64.44 -53.94 40.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -176.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.41 57.4 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 113.176 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.67 -52.24 64.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 111.254 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.501 ' HB2' ' HB1' ' A' ' 878' ' ' ALA . 84.4 mtp -62.99 -45.15 93.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.284 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 77.3 t -61.18 -41.58 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.456 ' O ' HG13 ' A' ' 828' ' ' ILE . 40.1 ttp180 -59.67 -46.25 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.822 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.472 HE21 ' HB3' ' A' ' 811' ' ' ASN . 10.2 mm100 -62.88 -39.12 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.789 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.85 89.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 18.1 mtp180 -68.54 -38.52 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.212 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 824' ' ' ARG . 72.9 mt -62.63 -41.91 94.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.977 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.9 -45.96 85.65 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.626 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.06 91.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -66.56 -49.04 67.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.36 96.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.281 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.498 HG21 ' OG1' ' A' ' 867' ' ' THR . 80.3 m -66.72 -34.77 78.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 22.6 t -60.7 -40.0 90.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.096 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.11 -42.71 95.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.28 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.716 HD13 HD12 ' A' ' 805' ' ' ILE . 4.5 mt -71.04 -49.07 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.674 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 833' ' ' THR . 85.4 t -53.65 -46.66 61.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 0.0 111.267 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -64.49 -39.02 93.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.919 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -70.05 -43.99 70.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.6 mt -58.97 -48.09 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.715 0.293 . . . . 0.0 110.785 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.04 -40.44 93.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.753 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.44 74.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.156 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.31 -31.39 65.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -64.72 -35.51 81.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.891 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.32 -38.07 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 110.134 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.5 -33.45 64.0 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.29 116.82 3.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.867 0.365 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.3 m -72.99 -23.78 60.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.739 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . 0.419 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 11.9 t70 -75.32 123.77 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.015 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 850' ' ' LEU . 1.3 tm? -68.38 -50.72 51.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.407 -173.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.419 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 8.8 pt-20 -65.42 -37.63 87.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.517 -176.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.41 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 49.8 t30 -71.53 -31.2 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.947 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 t -63.07 -49.62 73.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.178 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.391 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.25 -48.99 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.645 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 844' ' ' ALA . 92.7 mt -60.81 -47.95 83.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.909 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.09 -38.43 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 28.7 m -66.3 -38.73 88.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.81 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.44 88.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.873 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.18 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.94 -44.87 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.3 -57.25 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.564 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.64 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.873 0.368 . . . . 0.0 111.441 -174.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -85.38 -34.96 21.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.15 72.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.934 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.498 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.1 m -69.79 -45.68 67.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.789 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.56 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -68.93 -34.42 75.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.381 . . . . 0.0 110.394 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.471 ' HA ' ' HB3' ' A' ' 893' ' ' ALA . 11.8 tpt -63.86 -48.45 76.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.57 176.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 867' ' ' THR . 55.5 t -59.6 -42.56 88.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.109 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.77 -37.85 87.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.324 . . . . 0.0 111.056 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.36 73.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.57 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.74 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.934 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -54.79 -50.91 67.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.854 0.359 . . . . 0.0 110.763 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.61 -42.49 80.39 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.81 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.61 -30.3 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.989 0.423 . . . . 0.0 111.223 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 822' ' ' MET . . . -81.23 -62.93 1.52 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.77 71.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.266 -174.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -106.99 78.86 0.62 Allowed Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.67 -35.97 26.64 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.535 2.156 . . . . 0.0 112.547 -169.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.55 -6.86 53.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.829 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 14.5 t -83.86 99.16 10.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.927 0.394 . . . . 0.0 110.407 -177.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.74 -29.76 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.9 OUTLIER -64.42 -40.72 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -64.92 -36.33 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.993 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 883' ' ' SER . 68.2 mm-40 -62.73 -41.54 99.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 110.043 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -65.24 -41.7 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.585 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 89.3 mtt180 -57.81 -43.76 85.92 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.078 0.466 . . . . 0.0 110.272 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.484 HD22 ' CG2' ' A' ' 812' ' ' ILE . 58.6 tp -64.21 -41.12 97.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.952 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 80.8 mtp180 -54.1 -52.22 61.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.051 0.453 . . . . 0.0 110.487 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.89 -37.48 79.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.384 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -69.02 -44.29 73.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.569 0.223 . . . . 0.0 111.283 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.19 93.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.05 -42.75 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.382 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.64 -46.93 90.97 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.401 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.28 -45.14 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.311 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.445 ' HB2' HG21 ' A' ' 809' ' ' THR . 54.1 ttt180 -59.18 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.119 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.18 -45.14 94.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.096 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.28 86.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.05 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.447 HG22 ' CG2' ' A' ' 805' ' ' ILE . 33.4 m -65.59 -46.75 78.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.987 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.45 ' O ' ' HB1' ' A' ' 905' ' ' ALA . 36.0 t-20 -60.88 -38.58 86.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.249 0.547 . . . . 0.0 109.761 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -68.54 -43.76 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.812 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.09 70.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 902' ' ' ASN . . . -60.64 -37.47 81.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.707 175.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 62.8 mm-40 -74.19 -23.74 59.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.14 -6.52 39.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 177.153 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.632 ' OH ' ' HB3' ' A' ' 843' ' ' ASP . 4.4 m-85 . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.83 -34.75 76.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.261 -165.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -72.53 -46.24 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.47 91.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.235 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 15.7 p -62.9 -53.3 56.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.99 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -50.7 -42.95 57.6 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.362 0.414 . . . . 0.0 110.672 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 808' ' ' VAL . 88.3 m -56.75 -53.14 61.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.702 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.859 HD11 HD13 ' A' ' 836' ' ' LEU . 67.2 mt -58.31 -45.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.0 OUTLIER -53.12 -50.37 64.61 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.765 0.317 . . . . 0.0 110.633 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.1 m -64.69 -47.6 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 804' ' ' THR . 99.1 t -59.57 -39.69 80.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 88.7 m -55.13 -48.19 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.23 0.538 . . . . 0.0 111.411 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 37.3 mt-10 -62.01 -25.72 67.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.714 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.33 -25.69 62.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.581 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -64.19 -35.92 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.136 0.493 . . . . 0.0 110.267 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -68.13 -27.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.183 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.8 m -78.18 -26.3 47.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.311 175.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 50.6 m -81.18 -4.56 55.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.8 mmt -49.32 109.76 0.3 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.762 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.03 -25.7 5.46 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.707 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . 0.521 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.4 t70 -117.8 106.63 13.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 878' ' ' ALA . . . -63.33 -48.62 77.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.564 -174.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.01 -47.23 60.37 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 113.203 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.421 ' HG3' ' NH1' ' A' ' 824' ' ' ARG . 36.3 tt0 -68.85 -37.18 78.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.989 0.394 . . . . 0.0 111.489 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.521 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 92.2 mtp -58.42 -43.75 88.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.353 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 60.9 t -69.89 -36.17 68.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 828' ' ' ILE . 28.9 ttm180 -55.67 -51.93 65.59 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.581 ' HB2' HG13 ' A' ' 812' ' ' ILE . 14.6 mm100 -63.19 -36.15 82.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.125 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.99 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.853 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.3 mtt180 -61.96 -39.1 90.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.998 0.427 . . . . 0.0 110.266 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 824' ' ' ARG . 62.8 mt -62.36 -41.93 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.355 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 805' ' ' ILE . 28.8 mt -60.05 -46.22 90.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.088 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.47 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.86 -37.51 87.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.247 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.69 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.527 HG21 ' OG1' ' A' ' 867' ' ' THR . 86.1 m -62.62 -36.63 83.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 95.2 p -61.47 -47.81 83.99 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.387 0.613 . . . . 0.0 109.858 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . 0.451 ' HA ' ' ND2' ' A' ' 838' ' ' ASN . 28.7 t70 -67.83 -34.28 76.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.875 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.859 HD13 HD11 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -63.45 -46.68 85.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.18 178.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 833' ' ' THR . 84.2 t -56.93 -35.42 47.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 835' ' ' ASP . 57.6 m-20 -59.59 -50.5 73.66 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.921 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' ' 860' ' ' ALA . 69.6 mt -60.28 -51.01 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.813 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.83 -46.31 89.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.976 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.49 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . 0.632 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.7 t70 -78.42 -29.84 47.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.038 0.447 . . . . 0.0 110.071 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.23 85.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.6 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -74.6 -26.35 67.76 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.58 146.99 42.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 22.3 m -101.33 -20.71 15.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -77.95 114.86 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.549 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.3 OUTLIER -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.653 -174.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -66.71 -32.06 73.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.085 0.469 . . . . 0.0 109.924 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.0 m -63.12 -44.2 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.845 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 48.5 mtp180 -63.2 -37.34 86.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -54.33 -52.47 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.48 -48.71 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.139 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.66 -48.06 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.562 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 16.3 t -63.14 -38.87 92.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.92 95.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.454 ' HB2' HG22 ' A' ' 840' ' ' ILE . . . -63.4 -34.88 78.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.001 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -72.28 -44.16 63.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.8 -44.16 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.167 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 8.0 tp -60.02 -58.08 10.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.446 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . 0.406 ' HB1' HG22 ' A' ' 837' ' ' VAL . . . -55.91 -31.95 63.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.1 0.476 . . . . 0.0 111.46 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.87 -31.45 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.221 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -62.47 -36.89 83.91 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.527 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.7 m -64.86 -48.72 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.31 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.77 77.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.336 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.08 -36.05 81.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.427 ' HE3' HG12 ' A' ' 812' ' ' ILE . 0.5 OUTLIER -62.54 -51.33 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.956 177.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 867' ' ' THR . 58.9 t -57.9 -46.97 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.31 -39.0 81.65 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 890' ' ' LEU . . . -70.89 -44.02 67.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.762 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.13 -47.02 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -56.1 -45.64 79.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.601 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.21 56.17 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.929 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -67.26 -27.71 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.459 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . . . -83.73 -66.75 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.038 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.546 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 -174.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -106.42 83.03 1.08 Allowed Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.546 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 11.8 Cg_exo -69.51 -29.61 24.77 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.698 2.265 . . . . 0.0 112.146 -172.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.16 -22.55 55.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.386 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -66.46 111.94 3.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.52 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -72.67 -39.97 66.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.968 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.8 OUTLIER -66.28 -33.02 74.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.827 -176.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.8 mm-40 -68.73 -42.48 77.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.579 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.05 -48.67 77.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.578 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.6 mtt180 -57.87 -43.65 86.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 873' ' ' ALA . 52.3 tp -62.49 -46.29 89.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.3 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -56.33 -48.96 75.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.877 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.256 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.89 81.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.13 80.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.105 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.91 -30.78 69.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.27 -43.01 90.0 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.9 tm? -62.85 -44.58 95.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -57.49 -46.84 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.804 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 45.2 ttp -62.33 -46.05 90.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.343 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.5 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 111.303 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.499 HG21 ' HB ' ' A' ' 805' ' ' ILE . 22.5 m -65.02 -44.17 90.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.503 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.6 -38.34 77.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.069 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.52 87.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.032 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.75 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.224 0.535 . . . . 0.0 110.348 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.91 79.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 176.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -76.31 -43.04 43.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.34 -22.6 66.84 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.295 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.58 173.3 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.732 0.301 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.06 -33.09 74.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.83 -50.64 63.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.11 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.541 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.676 HG22 HD11 ' A' ' 836' ' ' LEU . 21.6 p -62.71 -41.94 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -51.67 -41.89 61.72 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.428 ' O ' HG22 ' A' ' 808' ' ' VAL . 23.0 m -58.56 -51.07 71.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.732 HD13 HD12 ' A' ' 836' ' ' LEU . 43.5 mt -66.05 -50.85 66.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.763 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.6 mm? -52.98 -41.21 64.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 88.6 m -71.05 -52.81 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.675 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.456 HG12 ' HB ' ' A' ' 828' ' ' ILE . 87.8 t -63.96 -36.2 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.651 HG22 ' HB2' ' A' ' 898' ' ' ARG . 98.3 m -55.2 -54.11 47.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.28 -25.33 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.845 0.355 . . . . 0.0 110.679 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -67.54 -21.52 65.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.713 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.58 -33.07 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.26 0.552 . . . . 0.0 109.963 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -75.57 -27.37 58.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.691 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.3 m -76.62 -37.73 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.8 p -82.84 -4.57 58.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.355 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.527 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -51.94 107.73 0.22 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.608 0.568 . . . . 0.0 110.824 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.11 -30.4 3.06 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -98.97 114.04 26.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.53 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -52.2 59.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.871 -173.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.25 97.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.401 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 31.1 tt0 -73.33 -38.16 65.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.72 -0.283 . . . . 0.0 111.651 -174.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.527 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 86.6 mtp -60.14 -44.25 95.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.639 HG23 ' HA ' ' A' ' 875' ' ' LYS . 59.9 t -65.54 -39.06 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.952 0.406 . . . . 0.0 110.2 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -58.57 -45.85 88.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.833 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 14.4 mm100 -60.15 -38.93 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.3 86.24 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 98.4 mtt180 -61.06 -39.64 90.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.456 ' HB ' HG12 ' A' ' 808' ' ' VAL . 53.8 mt -64.91 -43.14 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.089 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.405 HD23 HG23 ' A' ' 805' ' ' ILE . 67.6 mt -60.97 -41.91 97.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.73 -50.25 72.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.686 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.23 -49.88 73.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.51 91.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.373 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.547 HG23 ' HG ' ' A' ' 863' ' ' LEU . 97.0 m -63.53 -37.5 87.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.531 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 25.0 m -61.62 -48.6 80.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.058 0.456 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.83 -42.73 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.865 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.732 HD12 HD13 ' A' ' 805' ' ' ILE . 0.6 OUTLIER -63.52 -53.06 57.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.683 -178.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.69 HG23 ' HB3' ' A' ' 864' ' ' ALA . 79.7 t -56.85 -44.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.8 -36.78 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.736 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.48 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.903 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.3 mt -63.85 -49.86 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 67.7 mttm -55.19 -43.31 74.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.885 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.63 96.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.343 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -78.06 -27.59 48.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 110.723 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.95 -23.75 66.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 110.368 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 13.4 mm-40 -71.75 -21.24 61.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.855 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -80.72 -9.05 86.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.84 131.23 42.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 0.0 110.2 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 38.9 m -91.06 -11.65 38.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -80.41 111.32 16.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.76 -42.6 93.62 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.209 0.318 . . . . 0.0 111.584 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.68 -38.61 83.95 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 121.065 0.459 . . . . 0.0 110.041 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -72.32 -33.88 67.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.188 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 47.3 m -61.28 -51.5 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.078 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -67.56 -25.52 65.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.748 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -63.42 -51.69 64.7 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 109.996 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.16 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.379 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.6 mt -61.71 -36.96 82.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.132 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 66.6 m -65.2 -43.78 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.397 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.87 88.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.68 ' HB3' HG12 ' A' ' 837' ' ' VAL . . . -65.46 -41.46 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.096 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -68.32 -41.15 81.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.68 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.04 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.124 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.547 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -60.0 -57.81 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.743 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . 0.69 ' HB3' HG23 ' A' ' 837' ' ' VAL . . . -56.11 -26.71 50.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.254 0.55 . . . . 0.0 111.374 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.1 -35.0 22.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.697 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.73 72.99 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 833' ' ' THR . 6.2 m -68.6 -41.39 79.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.244 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.98 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.671 0.272 . . . . 0.0 110.494 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . 0.436 ' HG2' ' HB1' ' A' ' 893' ' ' ALA . 24.7 ttmm -57.89 -47.16 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 893' ' ' ALA . 10.3 tpt -54.44 -55.14 31.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.293 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.9 t -57.9 -49.28 81.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.426 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.62 -45.91 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 111.228 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.64 83.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.98 -46.76 87.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.639 ' HA ' HG23 ' A' ' 823' ' ' VAL . 54.3 mtpt -59.59 -37.99 80.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 111.231 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -75.76 -44.95 18.56 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.694 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.39 -31.46 70.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -72.28 -63.84 1.07 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.376 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.484 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -55.83 -41.09 73.74 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.537 0.523 . . . . 0.0 111.55 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.35 88.96 3.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.9 Cg_exo -57.61 -44.14 44.34 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.866 2.378 . . . . 0.0 112.997 -170.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -76.99 -2.54 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -173.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 81.3 p -71.54 92.16 1.11 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.594 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.79 -28.53 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.76 -47.04 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -67.48 -34.65 77.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 883' ' ' SER . 81.4 mm-40 -60.84 -45.47 94.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.437 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -69.76 -39.3 76.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.507 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -60.75 -39.61 89.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.267 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.05 -39.25 93.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -65.8 -25.28 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.311 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -80.87 -47.57 13.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.532 . . . . 0.0 110.472 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 869' ' ' LYS . . . -67.25 -51.65 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.346 -174.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 0.0 111.301 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.11 -35.6 74.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.727 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.26 97.04 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.361 173.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.37 -46.15 89.92 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.651 ' HB2' HG22 ' A' ' 809' ' ' THR . 63.5 ttp85 -60.21 -47.94 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.637 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -61.11 -48.83 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.442 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.91 87.97 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.563 HG23 ' HB ' ' A' ' 805' ' ' ILE . 64.0 m -63.65 -49.17 74.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.169 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.73 -40.46 88.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 0.0 109.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -62.73 -48.98 76.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.58 75.74 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 802' ' ' THR . . . -56.88 -53.43 57.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.121 177.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -78.93 -23.05 44.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.826 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 8.3 t-20 -69.08 -15.86 63.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.027 0.441 . . . . 0.0 110.466 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.671 -179.293 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.459 ' OH ' ' HB2' ' A' ' 843' ' ' ASP . 26.6 m-85 . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.44 -41.81 84.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.99 -46.22 71.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.515 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.721 HG23 ' HB2' ' A' ' 905' ' ' ALA . 43.1 p -69.21 -37.23 77.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.193 -178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.64 -45.23 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.022 0.439 . . . . 0.0 110.054 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.413 ' O ' HG21 ' A' ' 808' ' ' VAL . 30.0 m -61.36 -55.41 31.92 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.632 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.675 HG23 HD22 ' A' ' 829' ' ' LEU . 88.0 mt -56.0 -51.29 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.395 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.4 mp -52.1 -48.74 64.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -70.44 -42.99 70.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.47 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.473 ' O ' HD11 ' A' ' 812' ' ' ILE . 93.2 t -65.14 -36.69 78.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 122.211 -0.306 . . . . 0.0 110.619 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 812' ' ' ILE . 81.5 m -56.01 -54.65 42.34 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.778 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.23 -25.58 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 0.0 109.897 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.6 -20.82 61.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.905 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 809' ' ' THR . 1.7 mp -58.19 -42.97 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.5 -34.85 78.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.3 m -73.42 -30.32 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.2 m -83.4 -3.59 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.661 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.569 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 82.6 mtp -58.55 103.83 0.18 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.303 0.573 . . . . 0.0 111.359 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.12 -46.95 0.45 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.0 t70 -99.0 117.35 33.32 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.441 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.91 -54.54 33.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.445 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.22 -38.58 78.27 Favored Glycine 0 CA--C 1.521 0.443 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.958 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 35.1 tt0 -69.2 -33.96 74.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -178.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.569 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 77.3 mtp -66.0 -40.97 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.514 176.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 875' ' ' LYS . 59.4 t -68.08 -33.89 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.187 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 828' ' ' ILE . 51.6 ttp180 -53.25 -48.11 68.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.33 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.5 -42.89 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.368 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.0 84.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.049 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 88.6 mtt180 -64.12 -38.37 90.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.469 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 824' ' ' ARG . 66.6 mt -63.56 -46.38 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.675 HD22 HG23 ' A' ' 805' ' ' ILE . 79.7 mt -61.53 -43.97 97.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.167 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.72 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.772 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -67.2 -49.41 64.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.12 97.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.588 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 837' ' ' VAL . 98.7 m -62.24 -32.41 73.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.02 0.438 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.1 m -61.07 -38.0 84.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.085 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.81 -40.48 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 110.419 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 49.3 mt -64.34 -45.45 87.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 833' ' ' THR . 88.3 t -55.61 -40.96 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.71 0.291 . . . . 0.0 110.695 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.28 -45.7 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.194 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.65 -52.42 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.9 -42.08 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.535 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.89 -41.37 95.92 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.897 0.379 . . . . 0.0 110.935 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.52 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.077 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . 0.51 ' HB3' HD13 ' A' ' 856' ' ' LEU . 4.8 t70 -62.67 -40.98 98.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' A' ' 856' ' ' LEU . . . -64.07 -22.74 67.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.582 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.52 -26.08 38.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -121.63 25.74 6.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.483 -173.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 179.3 3.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.267 0.556 . . . . 0.0 111.627 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 17.7 m -128.9 23.31 5.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.003 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.68 130.9 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.162 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -41.68 85.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.733 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.37 -39.49 93.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -58.36 -43.8 88.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.343 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 6.2 t -61.55 -42.42 98.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 854' ' ' ARG . 58.6 mtt180 -68.61 -46.33 69.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.14 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -56.45 -50.44 71.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.253 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 843' ' ' ASP . 56.2 mt -62.27 -49.8 74.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.376 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.62 -30.16 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.204 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 m -73.24 -46.11 52.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.37 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.39 97.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.257 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -65.55 -49.67 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.81 -44.78 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.35 -58.13 9.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.362 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.99 -25.64 58.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.199 0.523 . . . . 0.0 111.028 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -85.2 -43.57 13.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.682 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.73 69.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 109.841 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 871' ' ' VAL . 8.3 m -66.16 -54.69 22.26 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.868 176.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.2 76.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -63.61 -41.39 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.472 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 6.0 ptm -80.44 -26.82 38.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.831 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 867' ' ' THR . 55.7 t -64.98 -50.07 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.63 -34.03 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.076 0.465 . . . . 0.0 110.708 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.27 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.68 83.0 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.581 ' HB3' ' HZ2' ' A' ' 875' ' ' LYS . 9.0 mtpm? -57.55 -44.38 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.9 -42.2 79.31 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.716 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . 0.438 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -71.12 -29.3 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.243 0.544 . . . . 0.0 111.062 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -76.45 -60.92 2.13 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.552 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -61.15 -33.69 73.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 -176.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.98 84.5 1.6 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.3 Cg_exo -69.11 -36.82 11.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.957 2.438 . . . . 0.0 112.386 -172.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -77.32 -28.91 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.628 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 36.4 m -65.89 103.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.286 -176.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.34 -25.07 62.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.325 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.88 -38.22 87.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.267 0.556 . . . . 0.0 109.626 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 16.0 mm100 -69.57 -37.92 77.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.2 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 883' ' ' SER . 61.9 mm-40 -64.93 -41.23 95.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.011 177.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.0 -51.59 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.998 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.229 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.508 HD13 HG21 ' A' ' 812' ' ' ILE . 47.2 tp -59.68 -54.02 51.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.951 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 895' ' ' GLU . 49.7 mtm180 -58.04 -45.07 87.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.245 0.341 . . . . 0.0 111.195 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.73 -48.51 78.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.116 0.484 . . . . 0.0 111.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.7 -41.01 61.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -174.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.91 92.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.648 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 44.0 mt-10 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.807 0.337 . . . . 0.0 110.436 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.24 -33.75 74.01 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.56 -0.828 . . . . 0.0 111.905 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.44 -41.61 88.87 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -57.36 -44.84 84.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.662 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -52.47 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.312 175.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.14 77.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.005 0.431 . . . . 0.0 111.446 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.507 HG23 ' HB ' ' A' ' 805' ' ' ILE . 35.2 m -65.4 -49.97 67.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -60.23 -41.64 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.52 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -57.81 -35.88 71.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.721 ' HB2' HG23 ' A' ' 802' ' ' THR . . . -58.13 -45.24 87.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.069 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.44 -31.94 62.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.753 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -66.42 -30.47 70.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 179.358 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.14 -27.68 67.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -166.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -72.52 -45.68 58.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.305 0.574 . . . . 0.0 109.882 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . 0.583 ' HB2' HD22 ' A' ' 836' ' ' LEU . . . -73.6 -38.89 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.245 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 32.4 p -63.98 -48.36 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.841 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.87 -35.22 66.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.972 0.415 . . . . 0.0 110.071 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 808' ' ' VAL . 47.9 m -59.67 -54.33 47.63 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.126 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.677 HD11 HD12 ' A' ' 836' ' ' LEU . 68.1 mt -58.5 -48.93 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.012 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.436 HD13 ' HG3' ' A' ' 898' ' ' ARG . 1.3 mm? -53.14 -47.63 68.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 38.8 m -68.19 -39.86 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.669 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 804' ' ' THR . 85.3 t -66.11 -40.03 86.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.101 177.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 898' ' ' ARG . 97.0 m -55.54 -55.23 34.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.886 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.96 -25.74 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -71.43 -21.57 61.96 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.406 ' CG2' HD23 ' A' ' 890' ' ' LEU . 2.1 mp -60.7 -39.19 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.29 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -70.44 -27.73 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.4 t -78.17 -25.43 47.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 109.702 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.2 m -83.11 -3.32 57.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.078 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 12.3 mmt -51.44 105.94 0.12 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.07 -30.27 3.55 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.64 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.48 104.15 14.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.545 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.89 -50.82 67.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.494 -173.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.77 79.05 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.891 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.3 -45.88 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.988 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.552 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 87.3 mtp -59.18 -40.0 84.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.7 -36.04 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.687 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.443 ' O ' HG13 ' A' ' 828' ' ' ILE . 22.6 ttp180 -69.51 -47.7 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.347 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.306 0.379 . . . . 0.0 110.891 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.96 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 827' ' ' ARG . 50.7 mtm180 -72.16 -27.5 62.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.5 mt -69.5 -40.35 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.529 HD22 HG23 ' A' ' 805' ' ' ILE . 59.3 mt -59.49 -48.19 82.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.341 174.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.528 ' HA ' HG23 ' A' ' 867' ' ' THR . . . -55.68 -42.29 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -63.36 -50.9 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.998 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.87 -45.18 87.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.344 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.656 HG22 ' HG ' ' A' ' 863' ' ' LEU . 19.6 m -56.46 -38.87 72.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.3 m -65.48 -33.42 75.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.77 -37.33 73.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 110.087 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 805' ' ' ILE . 12.5 mt -70.95 -39.19 72.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.51 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 833' ' ' THR . 74.4 t -55.57 -42.68 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 110.362 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -67.83 -49.17 63.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.494 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.35 -51.73 68.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.884 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.14 -42.65 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.934 0.397 . . . . 0.0 110.709 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 40.7 ttmt -62.17 -44.42 96.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.725 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.262 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.43 -34.23 70.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 0.0 109.843 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.643 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 28.1 mm-40 -66.43 -26.07 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -85.06 -15.64 66.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.299 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -79.83 131.18 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.422 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 21.0 t -86.92 -13.24 45.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.145 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -86.82 118.47 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -41.12 87.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.254 -175.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.58 -47.55 85.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.469 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -66.34 -40.42 89.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.987 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 13.4 p -68.31 -37.76 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.383 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -66.27 -35.73 81.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.39 -41.41 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.073 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.78 -47.57 77.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 853' ' ' SER . 82.8 mt -59.96 -46.12 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.554 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.419 ' O ' HG13 ' A' ' 862' ' ' ILE . 23.1 p -66.72 -41.37 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.99 89.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.79 0.329 . . . . 0.0 110.965 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.94 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.46 -42.11 75.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.606 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 858' ' ' SER . 75.0 mt -59.66 -46.51 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.032 175.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.656 ' HG ' HG22 ' A' ' 833' ' ' THR . 12.0 tp -56.06 -53.1 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.348 177.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.51 59.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.602 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -85.1 -42.41 14.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.349 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.92 64.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.135 0.493 . . . . 0.0 110.166 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.528 HG23 ' HA ' ' A' ' 830' ' ' ALA . 24.8 m -72.49 -45.87 57.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.918 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 872' ' ' GLU . . . -57.22 -47.28 81.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.458 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.0 -46.01 89.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.208 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 12.6 tpt -57.82 -50.24 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.345 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.21 -49.28 85.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.558 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 868' ' ' ALA . 77.7 mt-10 -60.83 -34.93 75.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.44 . . . . 0.0 110.791 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 890' ' ' LEU . . . -70.94 -46.95 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.58 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -56.77 -43.93 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -76.02 -39.81 31.74 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.83 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 111.183 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -83.96 -64.89 1.08 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.111 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.53 73.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -107.64 82.81 1.42 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.84 -25.25 53.12 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.65 2.233 . . . . 0.0 112.853 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.8 -25.76 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.685 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -67.01 99.15 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.763 -174.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.17 -37.41 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.717 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 36.3 mm-40 -63.46 -38.92 93.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.26 -35.09 79.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.559 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.54 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 71.2 mm-40 -60.91 -48.43 81.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -64.05 -42.3 97.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.3 mtt180 -56.32 -40.19 73.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.303 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 873' ' ' ALA . 57.4 tp -68.87 -39.54 79.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.071 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.5 mtp180 -57.57 -56.27 24.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.737 0.304 . . . . 0.0 110.954 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.59 -32.31 72.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.417 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.86 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.02 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.22 -38.37 90.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.322 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.23 -43.63 88.5 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.741 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -45.32 94.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 109.986 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.436 ' HG3' HD13 ' A' ' 806' ' ' LEU . 61.2 ttp180 -58.77 -49.25 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.365 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 49.2 ttm -60.62 -47.35 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.213 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.52 88.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.978 0.418 . . . . 0.0 110.888 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 805' ' ' ILE . 26.5 m -67.39 -43.3 81.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.91 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -60.89 -39.85 90.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.373 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.92 -45.14 83.0 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.698 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.4 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.66 98.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -75.66 -25.07 56.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.36 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -79.65 -6.7 57.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.596 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 179.08 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 908' ' ' ALA . 88.3 m-85 . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.49 -31.87 72.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.009 0.368 . . . . 0.0 111.362 -172.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -68.97 -38.25 79.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.942 0.401 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.77 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.198 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.767 HG21 ' HB2' ' A' ' 905' ' ' ALA . 43.7 p -67.11 -36.26 81.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.315 -176.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -50.18 -43.97 52.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 111.204 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 808' ' ' VAL . 61.1 m -62.12 -51.3 68.47 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.639 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.857 HD13 HD11 ' A' ' 836' ' ' LEU . 69.2 mt -63.56 -49.06 84.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.919 -176.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 902' ' ' ASN . 1.1 mm? -52.46 -44.82 65.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.9 m -74.92 -46.66 34.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -176.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 70.8 t -60.44 -33.94 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.581 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.428 HG22 ' HB2' ' A' ' 898' ' ' ARG . 55.3 m -53.82 -52.0 61.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.021 0.439 . . . . 0.0 111.205 176.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -64.51 -25.25 67.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 94.4 m-20 -64.62 -24.13 67.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.716 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.33 -36.67 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.423 ' HZ ' ' HB1' ' A' ' 894' ' ' ALA . 98.8 m-85 -73.24 -33.54 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 35.8 t -71.71 -36.81 70.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.272 0.558 . . . . 0.0 110.2 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.4 m -83.58 -2.85 56.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.573 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.3 ttm -54.49 114.58 1.72 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.226 0.536 . . . . 0.0 111.239 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.89 -27.71 3.82 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.231 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -104.23 117.64 34.73 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.694 ' HA ' ' HB2' ' A' ' 878' ' ' ALA . . . -63.95 -58.61 6.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.771 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.4 62.99 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 113.457 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -66.8 -47.31 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.771 0.285 . . . . 0.0 111.038 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.573 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.0 mtp -59.29 -42.97 92.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.051 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 875' ' ' LYS . 88.0 t -65.63 -40.79 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 178.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 828' ' ' ILE . 8.9 tpt180 -60.81 -45.49 94.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.433 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.7 -40.64 97.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.06 83.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.147 0.499 . . . . 0.0 110.956 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 80.0 mtp180 -68.96 -35.49 76.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.484 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.8 mt -65.1 -38.24 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.906 175.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.416 HD23 HG22 ' A' ' 805' ' ' ILE . 37.9 mt -59.17 -47.55 84.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.78 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -61.13 -50.33 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.553 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.52 94.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.446 HG22 ' OG1' ' A' ' 867' ' ' THR . 89.0 m -62.6 -35.53 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.57 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 24.2 t -63.6 -48.9 75.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.053 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.58 -32.57 73.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.857 HD11 HD13 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -67.34 -51.13 56.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.59 176.136 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 860' ' ' ALA . 71.1 t -56.54 -42.2 75.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.912 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.171 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.45 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.39 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 836' ' ' LEU . 83.8 mt -58.35 -51.98 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.94 -42.72 94.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.434 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.9 85.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.972 -177.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.69 -34.54 60.42 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.69 87.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.286 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.97 -23.88 62.3 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.829 0.347 . . . . 0.0 110.21 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -79.25 -24.76 60.62 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.59 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.11 135.61 52.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 63.1 m -85.62 -18.81 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.031 0.443 . . . . 0.0 110.624 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . 0.403 ' OD2' ' HB2' ' A' ' 851' ' ' GLU . 4.7 t70 -86.83 102.46 14.32 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -33.98 69.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -175.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.403 ' HB2' ' OD2' ' A' ' 849' ' ' ASP . 2.0 mp0 -58.58 -51.74 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.432 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -65.04 -37.59 88.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.137 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 56.9 m -57.2 -48.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 854' ' ' ARG . 62.4 mtt180 -62.03 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.074 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.3 -45.1 88.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.499 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.07 -49.78 70.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.643 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.2 mt -56.13 -40.49 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 39.0 m -67.81 -39.64 83.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.37 -31.46 72.63 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.608 ' HB2' HG13 ' A' ' 837' ' ' VAL . . . -63.37 -43.94 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 11.2 tmtt? -64.55 -43.06 95.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.648 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.58 -48.69 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.08 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 900' ' ' ALA . 7.2 tp -63.24 -57.89 8.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.7 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . 0.606 ' HB3' HG21 ' A' ' 837' ' ' VAL . . . -57.1 -23.6 48.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.301 0.572 . . . . 0.0 111.078 -176.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.7 OUTLIER -80.36 -35.77 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.41 -177.239 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.92 67.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.446 ' OG1' HG22 ' A' ' 833' ' ' THR . 3.0 m -66.04 -44.19 85.34 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.192 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.19 80.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.71 0.291 . . . . 0.0 111.124 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -67.04 -43.99 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.449 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.57 ' HA ' ' HB3' ' A' ' 893' ' ' ALA . 10.5 tpt -57.56 -50.0 74.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.085 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 52.8 t -60.75 -48.66 87.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.249 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.32 -37.45 87.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 111.431 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.9 -48.43 68.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.466 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.37 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.616 ' HA ' HG22 ' A' ' 823' ' ' VAL . 53.3 mtpt -56.92 -48.86 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.289 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -73.28 -40.33 49.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.834 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.88 -25.86 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.06 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.694 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . . . -78.16 -58.06 3.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.547 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.535 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.69 -36.91 72.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.063 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -106.71 82.75 1.09 Allowed Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.4 Cg_exo -63.96 -51.16 2.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.096 2.531 . . . . 0.0 113.56 -166.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.53 -8.06 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.094 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.409 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 47.6 m -70.99 104.58 3.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.449 . . . . 0.0 111.218 -177.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.5 -28.81 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.072 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 885' ' ' GLU . 14.0 mp0 -60.94 -40.09 91.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.263 0.554 . . . . 0.0 109.779 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 15.1 mm100 -73.13 -38.79 66.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.917 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.0 mm-40 -64.14 -37.37 87.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.842 0.353 . . . . 0.0 110.164 178.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.75 -49.02 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.92 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -64.93 -43.63 92.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.94 -41.54 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 891' ' ' ARG . 38.5 mtm180 -58.63 -38.2 77.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.54 0.21 . . . . 0.0 111.277 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.71 -47.84 36.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.854 0.359 . . . . 0.0 110.645 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -59.9 -44.31 94.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.82 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . 0.423 ' HB1' ' HZ ' ' A' ' 813' ' ' PHE . . . -68.08 -46.91 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.398 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -64.09 -33.44 75.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.678 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.65 -47.27 69.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.802 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.3 -44.48 97.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.243 0.544 . . . . 0.0 109.617 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.428 ' HB2' HG22 ' A' ' 809' ' ' THR . 77.4 ttt180 -53.88 -47.85 70.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.271 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.5 ttp -65.9 -48.94 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.997 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 863' ' ' LEU . . . -58.95 -40.23 84.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.82 0.343 . . . . 0.0 111.247 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.537 HG21 ' HB ' ' A' ' 805' ' ' ILE . 79.8 m -65.34 -54.5 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 177.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.632 ' HB2' HD13 ' A' ' 806' ' ' LEU . 56.7 t30 -61.68 -35.12 77.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.704 -177.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.17 83.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.8 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.36 0.6 . . . . 0.0 109.472 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.767 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -68.4 -26.72 65.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.065 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 28.8 mm-40 -77.13 -25.1 51.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.107 0.479 . . . . 0.0 110.363 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -77.65 -5.25 49.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . 0.485 ' HA ' ' CD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--O 1.234 0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.353 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 121.584 0.707 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.22 -35.15 77.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.486 -166.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . 0.813 ' HA ' HE21 ' A' ' 800' ' ' GLN . 0.0 OUTLIER -68.9 -43.24 75.65 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.29 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.44 74.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.88 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.5 p -66.03 -38.9 89.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.752 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -56.89 -46.15 82.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 808' ' ' VAL . 31.8 m -60.3 -56.11 25.47 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.643 ' HB ' HG22 ' A' ' 901' ' ' THR . 84.3 mt -57.61 -49.27 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.203 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.37 -42.85 74.52 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 33.3 m -74.81 -39.84 61.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.584 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 804' ' ' THR . 80.5 t -67.92 -37.79 78.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.253 -0.28 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.923 HG23 ' HB2' ' A' ' 898' ' ' ARG . 87.3 m -52.96 -52.99 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.39 -24.67 67.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.124 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 93.7 m-20 -67.34 -28.62 68.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.043 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.466 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.6 mp -57.88 -38.29 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 110.432 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -72.81 -28.61 62.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 15.3 m -78.35 -36.81 45.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.154 0.502 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 55.0 m -82.32 -3.54 55.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.165 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.613 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -56.46 111.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.3 0.571 . . . . 0.0 110.347 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 134.47 -30.78 2.85 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.982 -174.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -108.18 116.33 31.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.798 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.26 -51.72 62.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.3 -173.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -50.72 -53.76 24.41 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.76 -0.654 . . . . 0.0 113.471 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 39.3 tt0 -69.57 -35.34 75.28 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.134 0.467 . . . . 0.0 111.657 -176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.613 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.2 mtp -60.48 -45.63 93.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.897 0.379 . . . . 0.0 110.573 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.607 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.5 t -65.71 -40.01 86.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.948 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.474 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.3 ttm180 -53.56 -50.38 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 81.4 mm-40 -61.54 -46.36 90.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.64 -39.76 77.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.823 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 43.1 mtm180 -62.43 -39.26 92.74 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.77 0.319 . . . . 0.0 110.317 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 824' ' ' ARG . 70.2 mt -61.75 -42.0 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.924 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.546 HD23 HG22 ' A' ' 805' ' ' ILE . 83.2 mt -61.48 -49.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.874 177.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.29 72.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.023 0.439 . . . . 0.0 110.666 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.48 -49.09 62.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.87 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.43 92.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.395 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.613 HG23 ' HG ' ' A' ' 863' ' ' LEU . 26.0 m -58.95 -39.91 83.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.32 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 74.4 m -61.18 -35.43 77.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.551 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.47 -48.02 79.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 805' ' ' ILE . 16.6 mt -64.85 -44.23 90.45 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.877 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 833' ' ' THR . 71.0 t -53.34 -49.21 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.639 0.257 . . . . 0.0 111.008 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -67.34 -44.73 78.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.849 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.32 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.431 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.32 -46.43 94.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.348 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 56.8 mttm -58.75 -49.52 77.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 111.218 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . 0.527 ' HA ' ' OE1' ' A' ' 845' ' ' GLU . . . -69.11 -34.84 75.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.334 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.932 0.396 . . . . 0.0 110.434 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.08 -23.46 67.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.998 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . 0.527 ' OE1' ' HA ' ' A' ' 842' ' ' ALA . 44.3 mt-10 -72.22 -24.99 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.278 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -95.55 -26.7 11.52 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.3 126.31 27.15 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.0 m -84.16 -30.69 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 111.245 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.75 101.45 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.81 -39.06 73.45 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.359 0.412 . . . . 0.0 111.952 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.4 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.945 0.403 . . . . 0.0 110.12 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.425 ' HA ' ' HE2' ' A' ' 855' ' ' LYS . 58.0 t30 -70.78 -36.36 73.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.731 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 m -58.8 -50.06 75.37 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.117 0.484 . . . . 0.0 110.092 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.69 -45.76 92.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.677 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 852' ' ' ASN . 37.5 ttpt -57.34 -42.01 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.834 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.08 -53.01 62.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.705 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.22 -44.75 94.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.405 ' O ' HG13 ' A' ' 862' ' ' ILE . 49.2 m -61.5 -41.79 97.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.54 79.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.15 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 861' ' ' LYS . 0.3 OUTLIER -66.25 -45.17 81.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.771 178.822 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 858' ' ' SER . 82.5 mt -57.8 -47.24 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.331 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.613 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -58.21 -56.49 21.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.356 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.81 -30.68 61.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.435 -176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.14 -39.65 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.701 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.82 71.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.253 0.549 . . . . 0.0 109.631 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.442 ' OG1' HG22 ' A' ' 833' ' ' THR . 24.0 m -67.32 -49.55 63.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.841 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.16 -50.18 71.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.4 -45.26 94.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.666 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 13.2 ttt -64.86 -49.46 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.635 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 50.2 t -54.88 -48.09 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.215 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.43 ' HA ' ' HE3' ' A' ' 875' ' ' LYS . 33.3 mt-10 -64.85 -40.67 95.54 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.745 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.06 88.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.709 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.56 89.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.698 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.585 ' HA ' HG21 ' A' ' 823' ' ' VAL . 10.1 mtmp? -59.27 -43.78 92.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.943 0.401 . . . . 0.0 110.628 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.42 -42.65 64.18 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.443 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . 0.565 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -66.36 -31.69 72.62 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.153 0.501 . . . . 0.0 110.988 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.798 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -70.96 -58.99 3.04 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.602 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.535 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -68.35 -28.53 67.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.605 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -104.86 87.22 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 25.4 Cg_exo -61.58 -54.35 1.72 Allowed 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.104 2.536 . . . . 0.0 113.207 -166.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.01 -17.42 59.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.966 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.6 t -57.86 102.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 111.696 -171.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.115 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.93 -50.16 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.156 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 14.2 mm100 -58.22 -44.19 88.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.782 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.57 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 72.3 mm-40 -62.82 -47.57 82.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.384 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.176 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -59.94 -45.09 93.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.425 177.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' A' ' 812' ' ' ILE . 59.8 tp -65.72 -40.79 92.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.475 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 71.3 mtt180 -53.13 -49.05 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.571 -178.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.22 -32.19 38.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.723 0.297 . . . . 0.0 111.098 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.06 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . 0.666 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -63.84 -40.2 96.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.094 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.8 -36.2 79.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -65.8 -42.05 95.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.282 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.89 -49.66 71.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 110.491 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.923 ' HB2' HG23 ' A' ' 809' ' ' THR . 12.8 ttp180 -61.03 -41.49 96.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 51.7 ttm -67.33 -42.7 83.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.643 HG22 ' HB ' ' A' ' 805' ' ' ILE . 37.0 m -67.08 -41.45 86.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.15 -33.09 72.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.972 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 906' ' ' GLN . . . -65.78 -44.28 86.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.658 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.36 73.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.115 0.483 . . . . 0.0 110.293 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.32 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.233 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 903' ' ' ALA . 3.4 pt20 -74.26 -21.86 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.271 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -77.43 -6.19 52.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.398 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.58 176.245 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 4.3 m-85 . . . . . 0 CA--C 1.517 -0.311 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.37 -39.31 89.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.136 -166.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -64.27 -50.19 68.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.79 0.328 . . . . 0.0 111.041 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -74.24 -36.53 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.662 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 17.7 p -64.1 -42.62 96.83 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.592 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.58 -43.28 71.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.159 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 808' ' ' VAL . 31.2 m -57.1 -53.0 63.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.711 HG23 HD22 ' A' ' 829' ' ' LEU . 68.9 mt -62.71 -49.98 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.581 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -53.86 -42.48 68.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.588 0.233 . . . . 0.0 111.41 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 50.3 m -71.25 -50.52 31.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.303 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 804' ' ' THR . 90.2 t -60.61 -36.0 67.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.34 -176.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 99.8 m -54.76 -45.26 74.19 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 5.0 mm-40 -63.13 -25.72 68.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.954 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.578 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.456 HG13 ' CB ' ' A' ' 825' ' ' GLN . 3.7 mp -67.21 -44.66 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.564 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.44 -31.07 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 23.2 t -72.63 -39.68 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.172 0.51 . . . . 0.0 110.088 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -83.16 -5.98 59.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.611 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 48.1 ttm -54.01 121.38 7.93 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 128.69 -22.28 5.22 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -174.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.79 116.11 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 878' ' ' ALA . . . -64.42 -50.72 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.955 -173.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.6 94.02 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.255 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -67.54 -44.25 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 111.588 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.611 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 85.1 mtp -60.57 -39.93 89.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.674 -175.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 875' ' ' LYS . 69.2 t -66.67 -37.3 79.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.44 178.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.25 -46.31 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.692 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.456 ' CB ' HG13 ' A' ' 812' ' ' ILE . 15.0 mm100 -59.18 -40.06 84.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.182 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 871' ' ' VAL . . . -64.7 -37.82 88.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.028 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -61.98 -36.8 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.92 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.11 -43.65 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.465 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.711 HD22 HG23 ' A' ' 805' ' ' ILE . 47.6 mt -61.36 -45.87 92.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.737 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.415 ' HB3' HG21 ' A' ' 871' ' ' VAL . . . -56.67 -40.08 74.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.42 -49.22 67.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.563 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.01 91.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.894 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.669 HG23 ' HG ' ' A' ' 863' ' ' LEU . 46.4 m -58.56 -36.44 73.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.242 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.0 m -59.71 -35.98 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.134 -175.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.83 -39.07 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.471 HD12 HD11 ' A' ' 805' ' ' ILE . 13.3 mt -65.66 -41.6 92.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 833' ' ' THR . 93.8 t -53.38 -40.89 42.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -74.21 -43.53 56.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.923 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.87 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.543 ' HA ' ' CE1' ' A' ' 798' ' ' TYR . 75.8 mt -59.57 -44.87 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 64.1 mttm -58.93 -46.53 87.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.993 0.425 . . . . 0.0 110.823 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.553 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -74.4 -30.29 61.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.789 0.328 . . . . 0.0 110.362 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.32 80.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 175.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.6 mt-10 -75.16 -15.94 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -90.57 -7.19 67.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.575 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -83.91 140.89 31.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.318 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 23.3 t -90.72 -19.67 23.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.246 0.546 . . . . 0.0 110.185 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 108.08 20.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.85 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 853' ' ' SER . 4.7 mp -63.0 -29.5 70.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -178.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.22 -39.61 79.51 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.445 0.64 . . . . 0.0 109.528 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -80.29 -42.42 23.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.725 176.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 850' ' ' LEU . 47.3 m -55.6 -49.5 72.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.192 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -68.59 -29.13 67.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.695 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.98 -36.96 75.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.936 177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 907' ' ' ASN . 92.8 mt -68.33 -47.82 66.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.345 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.06 -49.31 76.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.271 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.424 ' O ' HG13 ' A' ' 862' ' ' ILE . 18.8 p -63.11 -39.33 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.15 93.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.99 98.69 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -67.74 -39.03 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.676 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 858' ' ' SER . 84.5 mt -63.65 -47.01 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.994 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.1 tp -56.35 -57.42 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.801 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -53.51 -35.29 60.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -83.8 -38.5 21.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.743 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.51 67.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.41 ' OG1' HG22 ' A' ' 833' ' ' THR . 24.4 m -72.06 -49.82 33.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.69 82.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.409 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -53.97 -50.31 66.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.641 173.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.607 ' HA ' ' HB2' ' A' ' 893' ' ' ALA . 0.3 OUTLIER -60.31 -54.5 44.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.105 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.484 HG11 ' HE3' ' A' ' 875' ' ' LYS . 74.2 t -57.3 -41.9 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.945 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.49 -36.86 79.52 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.97 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.415 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.15 95.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.567 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.484 ' HE3' HG11 ' A' ' 871' ' ' VAL . 94.0 mttt -57.48 -50.79 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.66 -45.3 93.27 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.515 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.179 0.514 . . . . 0.0 111.151 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 819' ' ' ALA . . . -76.84 -65.3 0.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.909 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.95 -31.03 72.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.765 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -106.44 83.69 1.25 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.9 -40.29 21.75 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.6 2.2 . . . . 0.0 112.655 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -76.6 -9.74 58.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.359 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 35.6 t -79.66 98.26 6.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.406 . . . . 0.0 110.751 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.01 -25.95 66.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.352 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 45.5 mt-10 -60.38 -50.04 75.19 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -64.24 -33.59 76.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.968 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 883' ' ' SER . 72.5 mm-40 -62.34 -48.78 78.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.096 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 53.7 tp60 -63.73 -42.17 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.611 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.1 mtt180 -59.06 -39.81 83.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.431 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 47.2 tp -65.28 -39.78 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.466 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 96.9 mtt180 -58.42 -51.18 70.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 36.2 mt-10 -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.429 0.633 . . . . 0.0 110.532 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . 0.607 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -67.26 -45.47 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.932 -175.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.48 76.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.123 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.65 -36.3 75.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.264 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.68 93.5 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.462 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.64 -47.65 82.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.35 -47.16 86.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.079 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.0 ttp -58.36 -50.11 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.777 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.49 90.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.382 . . . . 0.0 111.265 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.672 HG21 ' HB ' ' A' ' 805' ' ' ILE . 44.0 m -66.0 -46.57 77.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.437 ' HB2' HD13 ' A' ' 806' ' ' LEU . 57.0 t30 -66.95 -30.83 71.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.054 0.454 . . . . 0.0 109.947 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' A' ' 906' ' ' GLN . . . -66.26 -44.14 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.981 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.33 73.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.084 0.468 . . . . 0.0 110.279 174.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.1 84.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.173 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 903' ' ' ALA . 2.7 pt20 -78.16 -23.26 47.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.642 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 856' ' ' LEU . 3.6 m-80 -69.23 -16.08 63.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.898 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.187 175.72 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.502 ' HB3' HD11 ' A' ' 836' ' ' LEU . 16.5 m-85 . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.71 -29.04 68.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.966 -166.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.77 -48.67 45.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.02 89.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.038 -177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 21.3 p -67.67 -43.27 80.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.367 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.15 -43.46 61.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.768 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.428 ' O ' HG22 ' A' ' 808' ' ' VAL . 29.7 m -55.31 -54.11 47.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.35 175.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.601 ' HB ' HG23 ' A' ' 901' ' ' THR . 91.1 mt -61.69 -50.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.46 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 806' ' ' LEU . 1.3 mm? -55.7 -38.63 69.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.645 0.259 . . . . 0.0 111.35 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 32.7 m -76.28 -46.39 28.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.483 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.647 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 89.1 t -64.52 -27.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.549 0.214 . . . . 0.0 110.999 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.433 HG21 ' HB2' ' A' ' 898' ' ' ARG . 54.8 m -52.88 -51.28 61.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 807' ' ' THR . 12.7 pt-20 -67.77 -24.4 65.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.608 0.242 . . . . 0.0 110.815 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.647 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.2 m-20 -58.41 -33.64 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.625 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.501 HG22 HD11 ' A' ' 890' ' ' LEU . 3.4 mp -60.82 -37.26 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -75.06 -30.14 60.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.412 . . . . 0.0 110.329 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.4 t -72.33 -45.44 59.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.4 m -81.61 -2.87 51.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.373 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.593 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 47.3 ttm -50.28 115.68 1.54 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.259 0.552 . . . . 0.0 110.633 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.09 -41.3 1.52 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.7 112.02 23.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.765 ' HA ' ' HB2' ' A' ' 878' ' ' ALA . . . -64.14 -51.25 64.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.651 -173.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.71 90.87 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.87 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -67.36 -39.29 85.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.751 0.275 . . . . 0.0 111.031 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.6 mtp -61.57 -47.85 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.622 177.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.59 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 75.9 t -65.68 -35.34 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 828' ' ' ILE . 18.5 tpt180 -55.83 -48.7 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 177.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.67 -41.69 98.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.15 81.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.226 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 85.8 mtt-85 -62.84 -42.19 99.64 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.694 0.283 . . . . 0.0 110.351 177.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.8 mt -59.91 -44.73 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.566 HD22 HG21 ' A' ' 805' ' ' ILE . 57.2 mt -60.05 -47.26 86.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.95 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.548 ' HB1' HG23 ' A' ' 871' ' ' VAL . . . -58.25 -51.89 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -58.91 -48.21 82.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.786 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.62 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.026 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.493 HG23 ' OG1' ' A' ' 867' ' ' THR . 98.4 m -62.91 -40.36 97.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.639 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.2 m -59.34 -45.53 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 110.391 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.64 -36.42 78.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.482 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 798' ' ' TYR . 27.8 tp -68.39 -42.77 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 833' ' ' THR . 56.2 t -55.89 -49.1 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.321 . . . . 0.0 110.612 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.04 -46.12 90.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.281 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.68 72.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.49 -48.79 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.179 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 45.8 mtpt -68.86 -39.15 80.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.757 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.61 79.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 0.0 110.493 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.62 -32.14 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.155 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.94 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.982 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 53.0 mt-10 -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.56 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.0 -20.21 53.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.785 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.87 122.72 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.702 0.401 . . . . 0.0 110.594 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 57.0 p -79.91 -14.02 58.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.696 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . 0.479 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 7.8 t70 -86.83 95.38 9.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.622 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -57.44 -38.71 74.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.355 0.409 . . . . 0.0 110.906 -173.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.04 -39.8 87.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.021 0.439 . . . . 0.0 110.774 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.2 t30 -72.71 -32.98 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.0 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 50.6 m -60.13 -40.57 90.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.502 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 85.9 mtt-85 -60.64 -40.33 91.59 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.189 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -64.73 -41.74 95.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.609 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 94.2 mt -65.35 -48.97 71.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.47 -46.13 87.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.412 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 14.1 p -69.43 -36.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.37 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.784 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.24 86.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.671 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . 0.719 ' HZ1' ' HB3' ' A' ' 861' ' ' LYS . 4.6 mmmp? -63.49 -52.81 59.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.366 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.21 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.93 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.483 ' HG ' HG21 ' A' ' 833' ' ' THR . 10.0 tp -61.87 -57.19 12.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.59 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.02 50.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 0.0 111.705 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.97 -35.51 25.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.51 -33.0 74.62 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.493 ' OG1' HG23 ' A' ' 833' ' ' THR . 5.7 m -69.73 -43.54 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.96 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 110.522 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . 0.457 ' HB3' ' HE2' ' A' ' 869' ' ' LYS . 8.2 mmmm -64.15 -53.66 45.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.276 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 11.3 tpt -55.5 -53.6 54.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.332 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.548 HG23 ' HB1' ' A' ' 830' ' ' ALA . 40.0 t -59.15 -50.1 81.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.899 -175.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.47 -31.51 69.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.722 0.296 . . . . 0.0 111.369 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.51 75.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.7 -47.57 85.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.966 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.533 ' HA ' HG21 ' A' ' 823' ' ' VAL . 29.4 mtpp -55.67 -48.97 74.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.781 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.01 92.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.97 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -71.0 -27.93 64.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.223 0.535 . . . . 0.0 111.229 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.765 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . . . -80.14 -60.69 2.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.881 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.519 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.8 -35.0 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.073 -175.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -106.59 84.21 1.42 Allowed Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 24.4 Cg_exo -62.46 -38.26 53.78 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.964 2.442 . . . . 0.0 112.752 -168.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.32 -14.33 59.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.797 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.586 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -68.4 105.04 2.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.078 0.466 . . . . 0.0 111.477 -172.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -67.01 -32.1 73.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.998 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.47 -41.65 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.187 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 883' ' ' SER . 14.4 mm100 -67.53 -38.05 83.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 883' ' ' SER . 80.6 mm-40 -59.51 -45.58 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -57.42 -50.24 73.65 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.753 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -54.4 -46.38 73.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.399 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.501 HD11 HG22 ' A' ' 812' ' ' ILE . 58.7 tp -62.48 -48.45 79.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.373 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 67.3 mtt180 -58.54 -41.24 85.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 111.07 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.82 -47.36 53.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.95 88.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.112 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.69 84.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.639 0.257 . . . . 0.0 111.144 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.72 -36.64 67.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.3 -44.85 96.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.468 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.433 ' HB2' HG21 ' A' ' 809' ' ' THR . 46.8 ttp180 -55.97 -50.11 71.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.222 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 50.0 ttp -59.52 -50.12 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.48 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.54 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.98 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.601 HG23 ' HB ' ' A' ' 805' ' ' ILE . 24.4 m -66.5 -45.0 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.93 -39.26 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.672 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . 0.518 ' HA ' HE21 ' A' ' 906' ' ' GLN . . . -64.56 -44.27 91.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.53 78.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.293 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.088 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . 0.518 HE21 ' HA ' ' A' ' 903' ' ' ALA . 50.0 mt-30 -72.94 -25.72 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.927 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -86.17 -6.98 58.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.606 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.407 178.743 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.429 ' HB3' HD22 ' A' ' 836' ' ' LEU . 17.1 m-85 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -33.66 75.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.109 -164.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.96 -46.79 56.13 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.555 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.58 83.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.415 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 34.2 p -64.34 -45.24 88.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.685 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.33 -42.04 69.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.61 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 808' ' ' VAL . 92.6 m -58.87 -54.57 45.58 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.283 176.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.666 ' HB ' HG21 ' A' ' 901' ' ' THR . 65.1 mt -60.77 -50.68 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.504 -177.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.08 -52.43 43.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.723 0.297 . . . . 0.0 110.925 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 47.1 m -65.33 -47.61 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.661 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 804' ' ' THR . 92.8 t -62.82 -34.79 67.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.839 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.57 HG22 ' HB2' ' A' ' 898' ' ' ARG . 90.0 m -55.6 -48.79 74.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -58.31 -31.47 67.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.112 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.16 -21.78 63.04 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.927 -174.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.439 HD13 ' O ' ' A' ' 808' ' ' VAL . 2.8 mp -63.23 -41.53 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.801 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -71.88 -27.82 63.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.9 m -75.11 -32.39 61.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.237 0.541 . . . . 0.0 110.337 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 35.4 m -82.81 -3.75 57.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.562 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.439 ' HE1' HD23 ' A' ' 890' ' ' LEU . 11.1 mmt -46.52 121.74 3.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.619 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.32 -28.92 7.96 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.416 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . 0.417 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.7 t70 -105.91 113.15 26.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.625 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -51.02 65.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.684 -173.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.07 97.5 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.43 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 9.5 tp10 -63.99 -45.95 86.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.762 0.315 . . . . 0.0 111.17 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.471 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 90.1 mtp -63.86 -45.24 90.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.438 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 875' ' ' LYS . 89.2 t -65.71 -35.8 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.25 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.54 ' HD3' ' OE2' ' A' ' 821' ' ' GLU . 47.3 ttt180 -55.99 -51.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.499 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 79.6 mm-40 -59.88 -41.82 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.96 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.98 86.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 70.9 mtp180 -68.93 -32.99 73.0 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.796 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.9 mt -66.34 -44.36 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.756 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.586 HD21 HG21 ' A' ' 805' ' ' ILE . 67.2 mt -58.27 -47.35 83.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.562 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.07 -43.7 70.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.088 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -65.98 -48.37 71.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.05 96.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.192 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.526 HG22 ' HG ' ' A' ' 863' ' ' LEU . 49.5 m -60.96 -37.73 83.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.1 m -60.94 -33.74 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.559 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.83 -52.55 49.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.043 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.431 HD13 HD11 ' A' ' 805' ' ' ILE . 26.0 mt -60.59 -47.91 84.09 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.927 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 833' ' ' THR . 86.7 t -53.82 -42.37 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 -178.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.27 -44.75 35.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.66 0.267 . . . . 0.0 111.254 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.2 68.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.506 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.74 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.062 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.87 -41.41 97.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.278 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.67 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 0.0 110.614 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.19 -34.71 68.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.22 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.12 -20.29 57.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.664 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -99.31 0.16 57.06 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.245 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -86.33 144.27 27.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.2 m -89.4 -1.91 58.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.908 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -121.15 113.19 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -29.89 66.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.825 -173.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.85 -46.32 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.47 0.652 . . . . 0.0 109.31 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -63.72 -40.67 97.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.514 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 58.6 m -58.86 -40.27 83.81 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.946 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.53 -42.19 98.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.607 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.0 -44.3 97.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.46 -53.63 55.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.861 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.14 -42.96 81.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.0 m -63.94 -39.92 95.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.87 95.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.9 99.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.59 -52.13 66.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.001 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.19 -43.81 94.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.884 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.526 ' HG ' HG22 ' A' ' 833' ' ' THR . 13.3 tp -60.14 -53.17 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.753 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.99 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.28 -39.11 18.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.439 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.89 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 10.2 m -74.07 -43.51 57.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.859 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.32 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.45 -47.05 68.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.6 ' HA ' ' HB3' ' A' ' 893' ' ' ALA . 12.9 tpt -55.57 -53.39 56.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.745 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.431 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 44.9 t -59.54 -46.11 93.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.895 -175.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.5 -38.94 81.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.698 0.285 . . . . 0.0 111.416 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.04 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.519 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.86 97.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.796 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.604 ' HA ' HG22 ' A' ' 823' ' ' VAL . 98.2 mttt -58.85 -49.38 77.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.762 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.86 91.97 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.892 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.74 -25.37 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.625 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -82.76 -64.94 1.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.527 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -59.53 -36.86 76.94 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -175.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -106.79 84.25 1.48 Allowed Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 170.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.6 Cg_exo -59.64 -53.19 3.55 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.047 2.498 . . . . 0.0 113.31 -167.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.44 -2.42 31.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -173.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 67.4 m -71.58 95.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 111.015 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -63.26 -28.12 69.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.162 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 41.9 mt-10 -64.28 -49.59 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.477 178.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -66.83 -32.84 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.363 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.68 -51.24 70.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -65.01 -40.1 94.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.714 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 82.7 mtp180 -63.51 -35.85 81.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.489 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.439 HD23 ' HE1' ' A' ' 816' ' ' MET . 57.4 tp -66.13 -39.7 90.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 176.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.67 -47.75 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.739 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -33.9 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -69.01 -47.11 66.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.107 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.39 -35.72 81.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.25 -50.34 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.86 96.89 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.9 tm? -61.04 -50.3 73.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.344 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.57 ' HB2' HG22 ' A' ' 809' ' ' THR . 52.8 ttp180 -63.74 -40.13 95.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.484 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 52.9 ttp -60.52 -54.66 42.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.66 95.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.256 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.666 HG21 ' HB ' ' A' ' 805' ' ' ILE . 87.9 m -63.72 -49.47 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.246 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.412 ' O ' ' HB1' ' A' ' 905' ' ' ALA . 60.6 t30 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.419 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.44 81.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.425 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.78 73.99 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.98 0.419 . . . . 0.0 110.578 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 902' ' ' ASN . . . -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.643 175.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -75.29 -23.8 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.68 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -78.64 -6.56 56.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.208 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 179.629 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.41 ' HB3' HD23 ' A' ' 836' ' ' LEU . 18.4 m-85 . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.322 0.106 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . 0.401 ' HA ' ' OG1' ' A' ' 802' ' ' THR . 37.6 t70 -67.11 -28.12 67.9 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -165.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -72.14 -38.29 69.26 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.79 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -78.78 -40.25 33.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 799' ' ' ASP . 32.8 p -64.94 -39.76 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.695 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -48.22 -47.88 35.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.277 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 808' ' ' VAL . 48.6 m -60.85 -51.73 68.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.666 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.804 HD11 HD11 ' A' ' 836' ' ' LEU . 58.9 mt -58.56 -54.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.374 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 806' ' ' LEU . 2.1 mm? -54.76 -46.06 74.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.403 0.144 . . . . 0.0 111.287 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -65.95 -44.93 83.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.284 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 86.2 t -69.27 -36.01 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.066 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.448 HG23 ' HB2' ' A' ' 898' ' ' ARG . 98.9 m -54.87 -53.38 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.412 . . . . 0.0 111.832 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.32 -24.9 67.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 86.3 m-20 -62.53 -27.68 69.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.685 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.444 ' CG2' HD23 ' A' ' 890' ' ' LEU . 2.0 mp -56.96 -43.28 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.422 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 894' ' ' ALA . 96.3 m-85 -70.82 -33.75 71.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.78 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 21.4 t -75.29 -27.73 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -82.79 -2.93 55.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.311 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 9.6 mmt -45.64 108.37 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.502 0.501 . . . . 0.0 111.431 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 139.6 -45.09 1.03 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -103.71 115.67 30.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 0.0 110.283 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.591 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.02 -46.82 82.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.393 -176.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.92 -45.67 79.79 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.386 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.4 tp10 -67.34 -43.48 81.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.884 0.342 . . . . 0.0 110.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.54 -47.9 83.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.764 0.316 . . . . 0.0 110.916 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.7 -37.14 79.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.368 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -60.46 -43.6 96.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 32.1 mm-40 -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.441 ' HB2' HG12 ' A' ' 871' ' ' VAL . . . -61.31 -36.48 80.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.1 -46.78 87.43 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.076 0.465 . . . . 0.0 110.286 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.42 -43.26 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.386 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.1 -43.49 98.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.031 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.22 -45.19 84.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.33 -49.46 71.64 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.94 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.591 HG23 ' HG ' ' A' ' 863' ' ' LEU . 42.9 m -60.24 -41.6 93.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.4 m -61.23 -43.14 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -41.49 90.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.625 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.804 HD11 HD11 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -62.34 -46.68 87.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.54 HG11 ' HB3' ' A' ' 860' ' ' ALA . 73.4 t -55.48 -43.93 74.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.756 0.312 . . . . 0.0 110.689 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.79 -45.92 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.07 98.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 836' ' ' LEU . 75.7 mt -63.8 -46.9 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 98.2 mttt -58.76 -43.11 90.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.703 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.27 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.038 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -70.41 -32.57 70.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.66 78.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.747 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 49.9 mm-40 -70.17 -34.04 72.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.139 0.495 . . . . 0.0 110.271 176.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -92.69 10.03 74.7 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -88.92 142.92 27.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 10.0 m -78.82 -29.14 44.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 852' ' ' ASN . 27.2 m-20 -91.05 107.12 18.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.152 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.97 -42.19 98.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.618 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.95 -34.82 75.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 849' ' ' ASP . 63.8 t30 -77.43 -32.68 54.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.266 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 40.5 m -56.72 -41.65 77.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.223 0.535 . . . . 0.0 109.904 174.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 854' ' ' ARG . 22.5 mtp180 -68.6 -33.33 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.268 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.14 -43.62 86.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.032 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.36 -46.89 88.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.299 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 853' ' ' SER . 97.8 mt -58.9 -39.2 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 177.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.0 t -64.67 -48.15 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.135 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.31 90.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.54 ' HB3' HG11 ' A' ' 837' ' ' VAL . . . -60.42 -40.9 92.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.764 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.24 -52.42 54.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -41.95 68.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.591 ' HG ' HG23 ' A' ' 833' ' ' THR . 6.8 tp -59.97 -56.82 16.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.853 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.84 -29.23 62.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 869' ' ' LYS . 46.7 m-20 -82.58 -45.33 14.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.802 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.7 -30.74 65.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.099 0.476 . . . . 0.0 109.857 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 871' ' ' VAL . 29.6 m -67.58 -52.8 34.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.823 177.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.84 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.857 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 865' ' ' ASP . 51.2 mtpt -63.49 -51.64 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.139 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 7.1 ptm -72.68 -30.74 64.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.287 -174.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.441 HG12 ' HB2' ' A' ' 826' ' ' ALA . 53.5 t -64.82 -44.24 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.781 0.324 . . . . 0.0 110.58 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -72.0 -34.74 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.32 92.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.52 96.37 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.56 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -51.74 -52.87 45.38 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.65 82.9 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.033 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.98 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 0.0 111.059 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.34 -67.39 0.8 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.552 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.92 -34.23 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.507 -173.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -107.66 83.12 1.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 172.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 9.7 Cg_exo -70.23 -27.09 24.65 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.882 2.388 . . . . 0.0 112.549 -171.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.26 -25.69 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 39.2 m -72.7 122.58 21.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -93.55 -30.6 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.597 -175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 mt-10 -60.71 -40.48 92.4 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.097 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 54.7 mm-40 -63.29 -45.82 89.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.087 0.47 . . . . 0.0 110.07 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -65.09 -43.74 91.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.1 mtt180 -61.66 -37.13 82.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.447 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.444 HD23 ' CG2' ' A' ' 812' ' ' ILE . 53.1 tp -65.27 -39.95 93.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.642 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 68.8 mtp180 -53.63 -46.77 70.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.988 0.423 . . . . 0.0 110.631 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -75.52 -44.81 41.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.457 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.48 78.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.571 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 813' ' ' PHE . . . -68.47 -41.02 80.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.438 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.8 -28.8 67.89 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.728 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.04 75.44 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.377 174.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.48 -45.43 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.448 ' HB2' HG23 ' A' ' 809' ' ' THR . 70.9 ttt180 -53.78 -48.85 69.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.379 175.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 20.4 ttt -62.36 -47.11 85.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.368 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.85 79.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.911 0.386 . . . . 0.0 111.383 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 901' ' ' THR . . . . . . . . . . . . . 16.6 m -67.44 -45.33 76.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.72 -40.61 88.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.51 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -65.14 -49.37 70.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.466 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.73 -35.41 74.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.058 0.456 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.63 -52.36 66.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.846 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -79.01 -22.64 45.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.594 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 18.2 t-20 -59.88 -45.86 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.654 -177.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 O-C-N 123.987 0.804 . . . . 0.0 111.605 -178.308 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.486 ' HB3' HD21 ' A' ' 836' ' ' LEU . 6.6 m-85 . . . . . 0 CA--C 1.523 -0.083 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . 0.428 ' HA ' ' OG1' ' A' ' 802' ' ' THR . 30.2 t70 -67.31 -29.21 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.983 -168.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.08 -42.51 76.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.09 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -76.22 -41.39 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.448 HG22 HD12 ' A' ' 836' ' ' LEU . 19.9 p -62.74 -47.38 83.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.409 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -49.94 -42.71 49.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.151 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 808' ' ' VAL . 23.7 m -60.49 -52.16 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.8 HD13 HD13 ' A' ' 836' ' ' LEU . 65.3 mt -62.69 -51.61 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.578 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.7 mm? -53.58 -40.63 65.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.644 0.259 . . . . 0.0 111.16 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.3 m -76.05 -48.82 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.583 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.442 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 96.2 t -63.95 -30.95 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.208 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.684 HG22 ' HB2' ' A' ' 898' ' ' ARG . 58.6 m -52.84 -47.75 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 111.455 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -62.5 -25.91 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 83.3 m-20 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -172.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.566 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.1 mp -61.81 -37.9 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.233 0.539 . . . . 0.0 109.931 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -72.12 -27.14 62.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.595 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.2 m -76.03 -27.92 57.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 110.321 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 74.1 m -82.67 -3.35 56.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.558 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.0 mmt -48.48 128.52 14.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 119.38 -52.05 0.73 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.38 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' A' ' 822' ' ' MET . 35.2 t70 -101.21 113.23 26.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 109.887 176.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.481 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.94 -47.63 79.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.557 -173.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.73 -44.95 60.78 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.707 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.8 tt0 -67.94 -37.4 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 117.029 0.414 . . . . 0.0 111.003 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.445 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 87.2 mtp -58.85 -45.75 89.37 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.084 0.468 . . . . 0.0 110.507 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.625 HG23 ' HA ' ' A' ' 875' ' ' LYS . 70.6 t -66.01 -33.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.734 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.6 ttp180 -62.01 -42.47 99.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.566 ' HB2' HG13 ' A' ' 812' ' ' ILE . 77.7 mm-40 -61.91 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' A' ' 871' ' ' VAL . . . -60.22 -39.08 85.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.038 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -64.13 -35.31 80.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.7 mt -64.5 -47.47 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.963 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.0 83.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.822 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.37 -47.46 76.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.07 93.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.285 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 863' ' ' LEU . 85.4 m -61.67 -39.0 89.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.3 m -64.14 -44.4 92.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.543 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.42 -37.92 89.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.198 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.8 HD13 HD13 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -63.75 -49.09 74.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.069 177.491 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 860' ' ' ALA . 76.4 t -59.39 -41.76 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.001 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -59.23 -41.95 89.91 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.973 0.416 . . . . 0.0 110.626 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.64 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 836' ' ' LEU . 70.4 mt -58.1 -47.81 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.81 -52.06 67.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.819 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.41 82.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -68.71 -38.9 80.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.02 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.86 -33.18 75.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.273 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.44 -32.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.51 -25.13 33.96 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.657 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.39 132.63 54.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.695 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.9 m -92.97 -5.79 49.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.646 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . 0.444 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 13.6 t70 -88.76 108.45 19.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 850' ' ' LEU . 0.8 OUTLIER -59.35 -47.23 86.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.808 -170.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.444 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 9.4 pt-20 -67.29 -33.88 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.002 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.521 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.7 t30 -68.54 -39.06 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.856 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 67.8 m -60.19 -49.33 78.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.565 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.828 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.74 -46.29 88.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.51 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 97.7 mt -61.03 -49.04 78.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.47 -30.92 71.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.455 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 50.5 m -77.46 -36.07 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.746 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.49 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.681 ' HB2' HG12 ' A' ' 837' ' ' VAL . . . -59.57 -41.41 90.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.26 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -58.65 -50.93 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.009 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.24 -48.34 89.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.496 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.2 tp -58.1 -55.77 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.739 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.93 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.481 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.29 -37.83 27.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -60.48 -33.78 73.09 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.418 ' OG1' HG22 ' A' ' 833' ' ' THR . 5.8 m -72.86 -42.31 63.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.165 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.52 80.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 110.29 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -60.66 -53.97 50.93 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.138 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 11.8 tpt -55.52 -52.47 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.194 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.502 ' HA ' ' HB2' ' A' ' 826' ' ' ALA . 40.9 t -59.0 -49.09 84.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.696 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.994 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.18 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.198 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.67 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.346 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.625 ' HA ' HG23 ' A' ' 823' ' ' VAL . 54.2 mtpt -58.44 -47.28 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.07 87.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.911 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . 0.488 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -67.7 -27.72 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.149 0.499 . . . . 0.0 111.065 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -77.05 -63.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.684 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.535 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -64.78 -30.1 71.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.283 -175.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . 0.539 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 38.8 m80 -105.72 85.58 1.54 Allowed Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 16.7 Cg_exo -66.93 -57.86 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.839 2.359 . . . . 0.0 112.751 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.98 -3.99 35.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.736 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.539 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 21.1 m -74.68 97.6 3.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.032 0.444 . . . . 0.0 110.574 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.72 -30.06 69.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.076 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.93 -48.01 83.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 109.862 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . 0.488 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 14.4 mm100 -66.48 -41.65 88.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.493 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.582 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -57.34 -50.74 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.51 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 58.0 tp60 -58.56 -48.96 79.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.799 178.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -57.99 -41.45 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.492 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.01 -43.44 95.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.667 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 89.4 mtt180 -57.8 -40.97 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.278 0.561 . . . . 0.0 110.186 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 41.7 mt-10 -73.41 -43.65 60.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.13 62.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . 0.464 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -62.78 -50.38 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.312 . . . . 0.0 111.132 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.15 -28.49 67.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -71.49 -38.61 61.92 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.646 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.4 tm? -63.42 -46.87 84.34 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 174.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.684 ' HB2' HG22 ' A' ' 809' ' ' THR . 51.1 ttp180 -57.73 -47.34 82.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.06 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 26.0 ttt -58.4 -47.46 83.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.346 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.83 92.89 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.935 0.398 . . . . 0.0 110.941 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.506 HG22 ' HB ' ' A' ' 805' ' ' ILE . 30.7 m -66.36 -43.7 85.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.937 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 905' ' ' ALA . 33.2 t-20 -58.2 -46.0 86.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.774 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.68 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.055 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.32 -29.98 71.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 902' ' ' ASN . . . -63.05 -39.53 95.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.766 176.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -78.1 -23.51 47.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.993 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -70.89 -14.41 62.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.228 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.673 178.138 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 120.728 0.299 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.86 -34.42 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.412 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.84 -45.38 86.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.107 0.48 . . . . 0.0 110.245 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -72.38 -44.16 62.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.049 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.719 HG23 ' HB3' ' A' ' 905' ' ' ALA . 46.7 p -67.26 -44.72 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.446 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.57 -35.89 75.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.216 0.531 . . . . 0.0 109.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.435 ' O ' HG21 ' A' ' 808' ' ' VAL . 93.0 m -67.34 -58.02 5.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.344 174.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.714 HG23 HD21 ' A' ' 829' ' ' LEU . 81.7 mt -55.79 -46.6 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 122.318 0.247 . . . . 0.0 111.614 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.0 mp -56.31 -42.36 77.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.389 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 31.0 m -76.69 -39.28 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.582 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.54 HG11 HE21 ' A' ' 825' ' ' GLN . 74.8 t -65.65 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 122.045 -0.409 . . . . 0.0 110.596 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.671 HG23 ' HB2' ' A' ' 898' ' ' ARG . 93.4 m -57.74 -54.18 49.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.809 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.11 -25.52 65.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 110.218 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.74 -21.83 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.987 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.491 HG21 HD11 ' A' ' 890' ' ' LEU . 2.4 mp -65.01 -38.65 83.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -72.81 -32.25 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.387 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 16.7 t -68.97 -39.81 79.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.972 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 16.3 m -83.08 -6.3 59.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.529 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.431 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.3 ttm -53.1 119.37 4.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.735 -177.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 118.08 -0.27 16.98 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.478 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -134.68 117.02 15.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.597 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.11 -54.35 35.38 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.0 111.703 -174.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.59 -46.19 93.58 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.205 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 39.9 tp10 -68.39 -35.2 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.572 0.225 . . . . 0.0 111.266 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.431 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -66.08 -44.68 83.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.651 0.262 . . . . 0.0 110.853 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 57.9 t -66.06 -36.72 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.117 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 828' ' ' ILE . 76.9 ttt180 -52.07 -52.28 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.62 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.54 HE21 HG11 ' A' ' 808' ' ' VAL . 15.4 mm100 -64.46 -39.31 93.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.996 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.29 82.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.771 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 30.0 mtm180 -66.02 -36.55 83.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.693 0.283 . . . . 0.0 110.671 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.465 ' HB ' HG12 ' A' ' 808' ' ' VAL . 55.7 mt -61.61 -39.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.983 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.714 HD21 HG23 ' A' ' 805' ' ' ILE . 82.8 mt -62.31 -48.55 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.666 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.94 -49.97 66.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.151 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.28 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.629 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.501 HG23 ' HG ' ' A' ' 863' ' ' LEU . 49.6 m -58.59 -34.97 71.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.078 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.7 m -58.65 -33.44 70.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.82 -43.93 67.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.876 0.37 . . . . 0.0 110.213 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.81 -46.02 89.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 833' ' ' THR . 90.4 t -55.88 -37.83 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.704 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.43 -49.91 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.389 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.75 47.34 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 73.3 mt -60.02 -39.93 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.642 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 38.8 ttmt -68.18 -43.21 78.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.737 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.65 93.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.29 -36.08 82.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . 0.504 ' HB3' ' HG ' ' A' ' 857' ' ' LEU . . . -66.99 -39.26 87.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 177.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 52.4 mt-10 -72.96 -15.13 61.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.083 0.468 . . . . 0.0 110.452 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -93.55 -36.9 5.71 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.12 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.32 127.71 33.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 39.5 m -82.15 -16.06 51.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.18 115.19 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -39.18 93.89 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.44 -36.98 82.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.45 -36.66 45.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.557 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 18.5 p -69.86 -45.22 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.719 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.3 -38.05 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.629 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 855' ' ' LYS . 36.8 ttpt -61.01 -51.31 69.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.405 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.92 -44.43 96.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.504 ' HG ' ' HB3' ' A' ' 844' ' ' ALA . 75.0 mt -59.12 -41.97 89.44 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.056 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.9 m -68.32 -42.26 79.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.109 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.45 93.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.88 -43.51 71.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.8 -43.96 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.95 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.501 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.2 tp -58.09 -53.2 60.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.334 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.77 67.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.874 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.28 -35.44 35.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.412 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -59.91 -36.24 76.58 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.45 ' OG1' HG22 ' A' ' 833' ' ' THR . 15.6 m -70.85 -46.52 62.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.072 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.55 78.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.454 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -70.68 -45.42 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.285 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.34 -52.24 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.827 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.5 t -61.28 -45.68 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.709 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -67.72 -37.57 82.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.3 82.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.508 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . 0.463 ' HA ' HD13 ' A' ' 890' ' ' LEU . . . -55.99 -44.07 78.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.281 176.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 871' ' ' VAL . 99.5 mttt -56.39 -51.81 66.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.17 86.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.596 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . 0.506 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.35 -32.03 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -73.42 -59.07 2.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.36 -30.04 70.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.471 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -106.89 80.67 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.5 -40.26 18.95 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.564 2.176 . . . . 0.0 112.844 -169.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -76.95 -18.14 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.078 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 26.6 m -79.56 102.01 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.032 0.444 . . . . 0.0 111.216 -175.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . 0.438 ' HA ' ' CG ' ' A' ' 887' ' ' GLN . 42.0 mt-10 -73.57 -19.15 60.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 12.7 mm100 -68.48 -40.81 80.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.003 174.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 78.0 mm-40 -59.48 -43.05 93.35 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.642 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -54.07 -53.82 47.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.37 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -56.15 -43.7 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.79 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 812' ' ' ILE . 41.0 tp -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.112 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.5 mtt180 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.613 -174.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.23 -34.88 73.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.85 61.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.9 99.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.997 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 47.6 mt-10 -66.3 -38.84 88.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.164 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.02 95.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.691 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.539 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.6 tm? -64.21 -49.29 72.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.935 0.398 . . . . 0.0 110.267 176.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.671 ' HB2' HG23 ' A' ' 809' ' ' THR . 28.6 ttt180 -60.56 -43.22 97.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.75 -46.88 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.774 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.37 94.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.065 0.46 . . . . 0.0 110.843 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.65 HG23 ' HB ' ' A' ' 805' ' ' ILE . 43.9 m -64.26 -51.8 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.022 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 906' ' ' GLN . 37.5 t-20 -58.19 -42.17 85.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.934 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.75 93.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.57 70.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 110.602 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.719 ' HB3' HG23 ' A' ' 802' ' ' THR . . . -63.44 -42.14 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.975 176.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 64.0 mm-40 -70.9 -23.43 62.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.201 0.524 . . . . 0.0 110.422 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -78.25 -5.42 51.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.798 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.137 0.494 . . . . 0.0 110.927 178.503 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 908' ' ' ALA . 12.9 m-30 . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.555 0.217 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.1 -30.03 69.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.035 -170.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -72.6 -32.77 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.051 0.453 . . . . 0.0 110.571 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.65 -42.95 21.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.808 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.44 HG23 HD11 ' A' ' 836' ' ' LEU . 12.5 p -64.4 -34.14 77.48 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.573 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -52.55 -44.15 65.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.439 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 808' ' ' VAL . 50.2 m -63.4 -54.73 32.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.525 HG21 HD21 ' A' ' 829' ' ' LEU . 76.4 mt -58.4 -49.11 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.198 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.6 mp -57.55 -44.73 85.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 34.2 m -69.91 -43.47 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.192 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 93.1 t -66.24 -31.1 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.547 0.213 . . . . 0.0 110.851 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 93.1 m -57.71 -42.83 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.772 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.37 -30.64 62.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.349 0.595 . . . . 0.0 110.157 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 0.9 OUTLIER -67.05 -32.51 73.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.135 -173.364 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.404 ' CG2' HD21 ' A' ' 890' ' ' LEU . 4.2 mp -64.4 -36.34 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.58 -26.69 55.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.1 t -77.34 -33.76 55.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.5 p -83.38 -2.94 56.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.735 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.6 mmt -42.46 105.37 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.598 0.561 . . . . 0.0 112.373 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.32 -24.52 5.3 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.186 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -98.25 106.69 19.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' A' ' 879' ' ' ALA . . . -65.59 -31.88 73.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 -173.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -76.7 -48.84 8.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.2 tt0 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -174.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.451 ' HB2' ' CB ' ' A' ' 878' ' ' ALA . 88.1 mtp -58.57 -40.76 84.03 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.917 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' A' ' 875' ' ' LYS . 54.3 t -69.12 -40.35 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.043 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.477 ' O ' HG13 ' A' ' 828' ' ' ILE . 74.6 ttt180 -56.23 -44.71 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.925 177.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 8.8 mm100 -69.56 -38.46 77.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.864 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -39.21 80.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.964 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.06 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.694 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 824' ' ' ARG . 64.8 mt -65.71 -42.29 92.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.931 0.396 . . . . 0.0 109.976 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 805' ' ' ILE . 52.1 mt -61.24 -50.52 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.707 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.72 -46.3 74.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -65.13 -43.86 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.67 77.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 837' ' ' VAL . 53.9 m -58.98 -40.45 84.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.709 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.1 m -59.17 -43.87 92.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.54 -38.72 87.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.633 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.497 HD12 HD11 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -68.68 -46.66 68.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.755 -178.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 833' ' ' THR . 83.5 t -57.72 -40.62 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.197 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.71 -39.38 84.46 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.853 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 836' ' ' LEU . 61.6 mt -60.92 -47.38 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.472 ' HE3' ' CG1' ' A' ' 837' ' ' VAL . 98.7 mttt -58.82 -47.17 85.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.882 0.372 . . . . 0.0 111.022 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.15 80.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.508 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . 0.402 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 33.8 t70 -72.43 -31.48 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 109.956 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.14 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.29 -15.88 61.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.749 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -91.84 -2.99 68.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.755 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -78.0 148.25 34.48 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.511 0.324 . . . . 0.0 110.262 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.5 m -89.19 -28.03 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.925 0.393 . . . . 0.0 110.454 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 13.5 t70 -86.6 112.66 21.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 850' ' ' LEU . 2.3 tm? -63.98 -40.15 95.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.835 0.35 . . . . 0.0 110.797 -173.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -71.31 -39.55 71.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.42 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.6 t30 -68.04 -25.39 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.282 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.9 m -65.02 -46.0 83.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -65.38 -37.13 86.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.197 0.522 . . . . 0.0 109.72 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 852' ' ' ASN . 79.3 tttt -56.26 -48.87 75.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.697 175.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.22 -49.7 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 174.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.91 -34.87 70.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 36.6 t -58.51 -47.41 84.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.33 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.44 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.9 91.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -62.65 -47.54 83.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.62 -44.63 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.471 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.462 ' HG ' HG21 ' A' ' 833' ' ' THR . 8.2 tp -60.02 -57.48 12.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.757 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.38 62.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.936 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.87 -42.59 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.639 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.65 68.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.086 0.47 . . . . 0.0 110.061 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.421 ' OG1' HG23 ' A' ' 833' ' ' THR . 17.5 m -73.01 -47.03 48.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.076 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.63 82.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.82 -49.85 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.296 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.503 ' HA ' ' HB2' ' A' ' 893' ' ' ALA . 10.7 tpt -55.02 -51.17 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.906 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 40.0 t -58.36 -50.93 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.791 -176.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.91 -38.3 90.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 110.971 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.07 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.71 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.677 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.674 ' HB3' ' HZ2' ' A' ' 875' ' ' LYS . 9.4 mtpm? -59.53 -47.69 84.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.039 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 880' ' ' HIS . . . -68.73 -40.49 85.34 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.754 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -72.01 -26.85 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.047 0.451 . . . . 0.0 111.021 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 822' ' ' MET . . . -75.66 -65.08 0.94 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.751 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -63.4 -29.78 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . 0.576 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 58.4 m-70 -107.06 81.66 0.99 Allowed Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 169.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 19.4 Cg_exo -65.81 -49.21 2.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.676 2.251 . . . . 0.0 112.89 -170.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.78 -7.9 56.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.217 -174.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.576 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 53.8 m -67.54 108.61 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 0.0 111.358 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 884' ' ' GLU . 1.6 mp0 -57.35 -47.94 80.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.036 -177.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 tt0 -67.59 -35.82 79.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.746 -175.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . 0.422 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 15.7 mm100 -65.14 -41.15 95.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.727 0.299 . . . . 0.0 110.313 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.497 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.2 mm-40 -62.47 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.67 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.5 mtt180 -55.2 -44.31 75.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.371 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.404 HD21 ' CG2' ' A' ' 812' ' ' ILE . 43.8 tp -65.87 -41.68 91.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.222 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 75.7 mtp180 -61.42 -31.78 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.99 -47.32 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.97 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . 0.503 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -66.16 -43.93 85.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.933 -176.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 898' ' ' ARG . . . -63.82 -42.13 97.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.94 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.51 -33.59 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.539 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.2 44.44 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.477 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.35 -45.84 83.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.602 . . . . 0.0 109.764 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 894' ' ' ALA . 46.7 ttt180 -55.96 -53.76 52.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.693 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 55.3 ttp -63.51 -44.49 94.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.13 90.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.996 0.427 . . . . 0.0 110.975 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.485 HG21 ' HB ' ' A' ' 805' ' ' ILE . 18.5 m -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.734 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -61.15 -42.27 98.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -63.07 -48.02 80.45 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.579 176.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.74 72.42 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.06 50.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.986 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -76.19 -23.75 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.853 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 7.6 t-20 -65.57 -40.93 93.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.743 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . 0.577 ' HB2' ' CD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.503 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.425 ' HB3' HD21 ' A' ' 836' ' ' LEU . 1.6 m-85 . . . . . 0 C--O 1.223 -0.297 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -66.19 -38.45 88.04 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.634 -167.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.34 -43.04 58.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 109.963 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.42 86.11 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.523 HG23 HD12 ' A' ' 836' ' ' LEU . 34.2 p -65.95 -49.19 68.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.314 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.73 -37.05 62.95 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.65 ' O ' HG22 ' A' ' 808' ' ' VAL . 54.2 m -56.6 -56.35 22.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.127 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.73 HD11 HD13 ' A' ' 836' ' ' LEU . 69.3 mt -61.39 -45.8 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.319 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 902' ' ' ASN . 1.4 mm? -53.16 -45.44 68.44 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.8 m -67.99 -42.41 80.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.489 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 804' ' ' THR . 47.9 t -64.9 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 898' ' ' ARG . 96.6 m -53.56 -52.99 57.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.448 -176.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.53 -24.66 67.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.176 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -66.72 -24.05 66.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.767 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.403 ' CG2' HD22 ' A' ' 890' ' ' LEU . 2.6 mp -61.4 -36.8 75.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.154 177.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.46 -28.01 61.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 7.8 m -71.72 -41.31 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.22 0.533 . . . . 0.0 110.082 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.6 t -82.58 -8.69 59.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.616 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.4 ttm -50.1 111.39 0.51 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.318 -174.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.25 -23.93 3.81 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.622 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.59 121.13 41.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.286 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 879' ' ' ALA . . . -64.54 -33.92 77.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.26 -175.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -77.78 -56.95 3.66 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.105 -0.569 . . . . 0.0 113.707 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 44.3 mm-40 -68.19 -30.93 70.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.616 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 82.2 mtp -63.75 -41.2 98.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.569 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 81.3 t -68.92 -34.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.486 ' O ' HG13 ' A' ' 828' ' ' ILE . 52.9 ttt180 -54.56 -53.42 54.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.302 175.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.515 ' HA ' HD13 ' A' ' 828' ' ' ILE . 77.8 mm-40 -62.29 -40.37 96.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.52 96.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.64 -37.3 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 825' ' ' GLN . 84.7 mt -61.61 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.547 HD23 HG22 ' A' ' 805' ' ' ILE . 52.6 mt -59.35 -46.67 87.99 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.454 ' HB1' HG22 ' A' ' 871' ' ' VAL . . . -57.04 -50.49 72.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.23 -44.19 89.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.281 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.529 HG22 ' OG1' ' A' ' 867' ' ' THR . 85.7 m -61.51 -36.21 79.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.8 m -60.25 -45.47 93.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.573 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.643 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -62.42 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.257 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.651 HG13 ' HB3' ' A' ' 860' ' ' ALA . 73.4 t -59.69 -41.0 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.27 -44.45 95.31 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.48 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.977 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 836' ' ' LEU . 76.4 mt -62.79 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 178.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.478 ' HE2' HG12 ' A' ' 837' ' ' VAL . 68.8 mttm -57.32 -46.02 83.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 110.772 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.06 82.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.203 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.8 -42.49 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.344 0.593 . . . . 0.0 109.648 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -60.63 -28.41 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -66.52 -35.69 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -81.86 -23.86 56.76 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.65 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 125.93 28.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.066 0.46 . . . . 0.0 110.696 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.4 m -81.58 -22.13 37.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -79.88 105.21 11.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.753 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.25 -34.64 78.11 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 855' ' ' LYS . 41.1 mt-10 -60.51 -51.63 68.64 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -65.32 -41.09 94.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.625 176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 48.4 t -60.94 -51.26 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.771 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -64.8 -33.39 75.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.144 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 851' ' ' GLU . 9.8 mtmp? -65.68 -37.86 87.66 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.649 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.36 -49.93 74.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.917 0.389 . . . . 0.0 110.475 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.58 -39.75 92.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.2 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.7 m -65.67 -43.25 89.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.553 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.78 -41.73 97.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.917 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.651 ' HB3' HG13 ' A' ' 837' ' ' VAL . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -63.95 -47.28 81.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.8 -46.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.556 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.9 -57.02 14.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.475 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . 0.415 ' HB2' HG22 ' A' ' 837' ' ' VAL . . . -56.77 -26.97 58.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.958 0.409 . . . . 0.0 111.268 -176.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.74 -35.19 22.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.312 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -60.18 -38.1 82.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 833' ' ' THR . 6.0 m -65.08 -43.57 91.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.881 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.39 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.767 0.318 . . . . 0.0 111.012 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.33 -48.15 76.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.496 ' HA ' ' HB3' ' A' ' 893' ' ' ALA . 11.4 tpt -55.76 -52.73 62.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.574 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.454 HG22 ' HB1' ' A' ' 830' ' ' ALA . 44.3 t -60.48 -46.01 96.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.595 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -65.45 -37.63 87.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.546 0.212 . . . . 0.0 111.346 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.39 77.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.503 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.61 96.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -55.42 -50.33 70.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.59 -41.0 66.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.731 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.09 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 0.0 111.066 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 822' ' ' MET . . . -72.78 -64.25 1.0 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.603 ' HA ' ' HB3' ' A' ' 819' ' ' ALA . . . -61.27 -31.52 71.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.346 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -106.59 81.69 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 170.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.557 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 22.8 Cg_exo -63.65 -48.53 5.49 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.86 2.373 . . . . 0.0 113.064 -166.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.14 -3.56 36.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.175 -174.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -77.05 96.15 4.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.138 0.494 . . . . 0.0 110.14 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.45 -22.7 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.349 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -65.66 -39.34 91.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 0.0 109.938 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.9 -38.01 67.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.064 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 883' ' ' SER . 76.3 mm-40 -57.84 -45.9 85.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.216 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -60.53 -44.74 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.153 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -62.34 -38.82 90.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 110.321 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.403 HD22 ' CG2' ' A' ' 812' ' ' ILE . 63.4 tp -63.05 -42.5 99.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.77 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.7 mtt180 -56.35 -44.27 79.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -73.72 -39.63 64.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -66.64 -47.04 73.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.296 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.78 99.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.265 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.85 -36.99 86.13 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.776 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.91 86.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.76 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.426 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -64.04 -46.93 82.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.407 ' HB2' HG21 ' A' ' 809' ' ' THR . 42.4 ttt180 -58.63 -47.04 85.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.649 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 21.8 ttt -58.24 -50.82 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.223 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.69 93.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 111.285 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.578 HG23 ' HB ' ' A' ' 805' ' ' ILE . 51.1 m -63.47 -48.36 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.559 ' HB2' HD12 ' A' ' 806' ' ' LEU . 63.4 t30 -65.16 -28.69 69.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.162 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -72.75 -44.49 61.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.02 74.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.456 . . . . 0.0 110.094 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.415 ' HA ' HG21 ' A' ' 802' ' ' THR . . . -55.78 -44.84 78.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.724 174.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -78.52 -23.57 46.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.275 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.65 -8.04 58.27 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.065 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.715 ' CE2' HG12 ' A' ' 840' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 120.53 0.205 . . . . 0.0 111.08 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.8 -38.25 83.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -70.79 -29.17 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.902 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.47 22.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.917 0.389 . . . . 0.0 110.312 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.565 HG22 ' HB1' ' A' ' 905' ' ' ALA . 38.2 p -64.99 -37.24 87.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -46.7 -43.98 18.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 111.023 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 808' ' ' VAL . 18.8 m -63.8 -52.12 61.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.624 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.637 ' HB ' HG23 ' A' ' 901' ' ' THR . 62.7 mt -60.31 -49.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.505 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.508 ' CD1' ' HG3' ' A' ' 898' ' ' ARG . 1.1 mm? -54.92 -39.01 68.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.739 0.304 . . . . 0.0 110.995 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.7 m -76.05 -44.41 39.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.651 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.61 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 97.4 t -68.1 -31.05 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.64 HG22 ' HB2' ' A' ' 898' ' ' ARG . 53.5 m -54.01 -53.22 55.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.92 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.8 -24.36 66.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.94 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.61 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 96.0 m-20 -58.3 -29.93 66.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.745 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.72 -38.06 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.615 0.245 . . . . 0.0 110.894 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -72.57 -35.07 67.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.9 0.381 . . . . 0.0 110.703 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.7 m -71.31 -40.65 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.173 0.511 . . . . 0.0 110.658 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 15.0 m -83.08 -2.83 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.316 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.576 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 43.2 ttm -55.38 126.25 24.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.08 0.466 . . . . 0.0 110.744 -178.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 122.57 -30.23 5.2 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.96 117.15 34.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.535 ' HA ' ' HB3' ' A' ' 878' ' ' ALA . . . -66.86 -40.51 87.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.872 -173.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -70.64 -41.33 65.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.936 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.58 -41.71 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.565 0.221 . . . . 0.0 111.253 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -60.54 -45.35 94.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.501 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.619 HG21 ' HA ' ' A' ' 875' ' ' LYS . 70.8 t -66.91 -36.61 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.165 0.507 . . . . 0.0 110.279 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 828' ' ' ILE . 67.6 ttt180 -61.44 -48.51 80.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.64 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -61.49 -40.16 93.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.53 82.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.227 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -68.33 -32.46 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.656 0.265 . . . . 0.0 110.857 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.0 mt -63.6 -41.44 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.556 HD22 HG22 ' A' ' 805' ' ' ILE . 83.2 mt -60.58 -45.56 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.583 174.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.72 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.23 -43.8 97.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.215 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.425 HG22 ' HG ' ' A' ' 863' ' ' LEU . 52.7 m -60.89 -33.94 73.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.728 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.3 m -57.7 -39.91 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.04 -41.67 90.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.11 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.547 ' O ' HG13 ' A' ' 840' ' ' ILE . 27.1 mt -66.64 -47.47 72.48 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.725 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 833' ' ' THR . 99.5 t -53.82 -41.3 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.797 0.332 . . . . 0.0 110.411 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -65.74 -49.84 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.94 -54.16 48.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.715 HG12 ' CE2' ' A' ' 798' ' ' TYR . 53.0 mt -56.69 -46.06 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.003 0.43 . . . . 0.0 111.414 -175.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -72.91 -32.87 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.536 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.48 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.958 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . 0.433 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.5 t70 -75.63 -27.0 58.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.043 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.41 -23.93 67.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.521 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.41 -23.27 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.94 65.25 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.587 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -76.55 133.8 39.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.985 0.421 . . . . 0.0 110.198 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 31.8 t -86.76 -15.06 40.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.217 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -89.25 112.47 23.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -31.75 67.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.582 -172.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -64.9 -44.0 91.02 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.404 ' OD1' ' HE3' ' A' ' 855' ' ' LYS . 53.8 t30 -66.58 -39.05 88.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 175.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 853' ' ' SER . . . . . 0.57 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 46.6 m -56.61 -47.76 78.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.978 0.418 . . . . 0.0 110.086 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -63.55 -37.07 85.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.965 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 855' ' ' LYS . 1.7 tmmt? -69.2 -37.87 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.651 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.61 -44.02 87.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.897 0.38 . . . . 0.0 110.36 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 853' ' ' SER . 85.4 mt -57.92 -41.08 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 6.3 p -72.3 -29.25 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.169 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.38 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.939 0.4 . . . . 0.0 110.231 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.19 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.315 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.25 -44.13 92.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.913 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.93 -51.35 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.425 ' HG ' HG22 ' A' ' 833' ' ' THR . 14.0 tp -54.75 -52.09 63.62 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.012 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.14 66.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.3 -175.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.18 -30.47 22.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.384 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.86 75.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 23.8 m -70.94 -41.33 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.084 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.87 -52.53 64.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.712 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -58.62 -43.49 89.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.671 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.42 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.8 tpt -59.63 -56.08 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.332 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.486 HG12 ' HE3' ' A' ' 875' ' ' LYS . 55.9 t -60.58 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.764 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 45.7 mm-40 -64.94 -41.36 95.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.549 0.214 . . . . 0.0 111.101 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 889' ' ' ARG . . . -65.87 -41.8 91.17 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.502 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.05 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.834 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.619 ' HA ' HG21 ' A' ' 823' ' ' VAL . 94.8 mttt -54.25 -49.76 68.78 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.05 177.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.15 -44.67 59.52 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.596 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.63 -28.74 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.062 0.458 . . . . 0.0 111.477 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.535 ' HB3' ' HA ' ' A' ' 819' ' ' ALA . . . -78.9 -66.06 0.91 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.826 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.499 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -58.89 -37.52 76.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -107.12 85.54 2.07 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.6 Cg_exo -62.92 -36.99 57.22 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.608 2.205 . . . . 0.0 112.352 -171.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.56 -30.7 57.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.78 -171.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 19.2 p -61.58 110.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 111.644 -174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -71.58 -28.33 63.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.726 -174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.35 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.093 0.473 . . . . 0.0 110.124 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.25 -44.36 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.503 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.4 mm-40 -57.88 -46.34 85.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -58.56 -50.73 72.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.533 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.482 ' HG3' ' HB2' ' A' ' 873' ' ' ALA . 16.8 ptm180 -69.53 -28.98 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.027 -177.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.97 -46.5 84.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.519 0.2 . . . . 0.0 110.678 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.5 mtt180 -57.9 -46.66 84.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.25 -38.87 85.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.65 -45.83 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.14 98.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.53 -39.11 88.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.509 176.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.07 85.85 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.904 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.09 -46.62 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.64 ' HB2' HG22 ' A' ' 809' ' ' THR . 29.1 ttp180 -59.56 -46.39 89.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 46.4 tpp -61.12 -43.72 98.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.637 HG23 ' HB ' ' A' ' 805' ' ' ILE . 39.5 m -64.73 -50.56 66.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.015 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -51.47 -51.27 56.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.712 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -66.1 -41.76 90.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.292 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.13 69.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.912 0.387 . . . . 0.0 111.201 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.565 ' HB1' HG22 ' A' ' 802' ' ' THR . . . -65.98 -51.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.87 -22.04 59.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.561 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 5.6 t-20 -61.35 -21.94 64.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.807 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.07 179.261 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.746 ' HH ' ' HA ' ' A' ' 840' ' ' ILE . 3.8 m-30 . . . . . 0 C--O 1.223 -0.314 0 CA-C-O 120.375 0.131 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.41 -42.47 78.95 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.424 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -63.16 -45.81 90.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.106 0.479 . . . . 0.0 110.376 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.01 91.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.473 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.537 HG23 ' HB1' ' A' ' 905' ' ' ALA . 22.9 p -72.56 -38.21 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.574 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.98 -41.7 83.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.686 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 808' ' ' VAL . 34.2 m -58.09 -52.32 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.295 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.669 HG22 HD21 ' A' ' 829' ' ' LEU . 80.5 mt -59.43 -49.71 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.36 -39.88 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.487 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.4 m -75.22 -43.98 48.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.35 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 804' ' ' THR . 79.6 t -65.18 -37.06 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.039 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 898' ' ' ARG . 92.2 m -55.78 -52.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.34 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.76 -26.12 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 3.8 m-80 -68.78 -26.91 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.873 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.473 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.8 mp -63.72 -41.71 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.408 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 92.3 m-85 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.2 t -78.09 -34.76 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -83.81 -3.77 58.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.55 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 83.6 mtp -50.15 116.55 1.9 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.018 0.437 . . . . 0.0 111.394 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.76 -39.7 1.71 Allowed Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -104.06 123.01 46.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.723 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.37 -54.8 27.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.996 -174.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.25 80.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.048 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.64 -47.92 61.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.665 -0.315 . . . . 0.0 111.066 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.55 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 85.9 mtp -62.11 -40.71 96.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.991 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.02 -35.81 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 828' ' ' ILE . 25.1 ttm-85 -56.86 -50.87 71.15 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.078 0.466 . . . . 0.0 110.596 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.408 HE21 HG12 ' A' ' 808' ' ' VAL . 15.6 mm100 -62.42 -39.29 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.021 -176.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.26 86.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.027 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -65.27 -41.58 94.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 824' ' ' ARG . 65.9 mt -60.01 -42.31 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.277 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.669 HD21 HG22 ' A' ' 805' ' ' ILE . 90.2 mt -63.84 -44.38 93.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -79.64 -48.5 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.8 81.83 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.428 HG23 ' OG1' ' A' ' 867' ' ' THR . 52.9 m -60.27 -37.1 79.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.6 t -58.55 -50.74 72.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.4 -36.53 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -66.92 -49.35 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 177.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 860' ' ' ALA . 54.7 t -57.93 -41.39 79.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.208 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -57.74 -44.97 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.397 . . . . 0.0 110.401 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.57 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.924 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.746 ' HA ' ' HH ' ' A' ' 798' ' ' TYR . 68.4 mt -58.39 -45.5 89.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.84 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.2 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.3 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.836 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -35.92 64.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.165 173.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -61.09 -43.94 98.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.59 -20.57 59.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.416 . . . . 0.0 110.567 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -100.66 4.0 56.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.439 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.63 132.64 34.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 44.8 m -85.89 -17.92 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.259 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.76 122.38 28.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.824 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.436 ' HA ' HD22 ' A' ' 850' ' ' LEU . 0.3 OUTLIER -70.34 -46.38 64.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.404 -171.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.45 -36.03 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.252 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.525 ' HA ' ' HD3' ' A' ' 855' ' ' LYS . 65.7 t30 -73.02 -31.24 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.0 t -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 854' ' ' ARG . 44.8 mtt180 -65.49 -45.37 83.89 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.913 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . 0.525 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 10.1 mtpm? -55.53 -48.0 75.41 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.672 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 844' ' ' ALA . 93.8 mt -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.039 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.28 -45.14 95.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.359 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 26.2 p -67.14 -39.61 86.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.873 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.48 96.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.52 0.2 . . . . 0.0 110.701 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.542 ' HB3' HG11 ' A' ' 837' ' ' VAL . . . -62.81 -40.18 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.75 -39.93 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.845 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 88.7 mt -67.45 -47.72 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.093 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -57.58 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.883 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . 0.493 ' HB2' HG22 ' A' ' 837' ' ' VAL . . . -56.73 -34.03 67.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 0.0 110.845 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.01 -42.39 26.67 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.723 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.04 68.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 871' ' ' VAL . 22.8 m -67.74 -52.84 32.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.22 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.36 -40.71 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.795 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -57.48 -48.05 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.421 ' HE3' ' HB2' ' A' ' 870' ' ' MET . 15.9 ptm -77.25 -30.24 54.35 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.343 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 867' ' ' THR . 70.3 t -65.1 -48.23 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.652 0.263 . . . . 0.0 110.396 177.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 10.8 mm-40 -63.57 -38.57 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.496 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.21 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.783 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.99 99.13 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -53.81 -50.57 65.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.015 0.436 . . . . 0.0 110.594 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.09 86.24 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.874 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.8 -29.64 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.259 0.552 . . . . 0.0 111.388 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.723 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.09 -62.91 1.45 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.133 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . 0.566 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -60.57 -31.79 70.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.191 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -106.62 82.5 1.03 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.7 Cg_exo -67.24 -29.52 38.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.718 2.278 . . . . 0.0 112.064 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.6 -30.91 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.97 -175.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.8 t -66.11 107.15 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 -176.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.31 -27.0 52.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.141 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 39.6 tt0 -63.71 -41.15 98.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.145 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.34 -34.28 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.662 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 64.5 mm-40 -64.02 -45.56 88.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.992 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -64.81 -42.79 94.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.871 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 58.8 mtp180 -56.64 -42.88 79.64 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 109.976 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 812' ' ' ILE . 57.0 tp -63.45 -47.71 80.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.885 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 65.7 mtp180 -51.12 -53.68 32.06 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.296 0.372 . . . . 0.0 110.934 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -56.03 -51.14 68.86 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.343 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.42 74.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.769 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.69 76.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.3 -36.43 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.03 96.64 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.552 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.96 -38.94 93.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.561 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.569 ' HB2' HG23 ' A' ' 809' ' ' THR . 56.0 ttt180 -62.35 -46.53 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 109.583 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.08 -41.76 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.068 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.223 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.424 HG22 ' HB ' ' A' ' 805' ' ' ILE . 40.1 m -62.63 -46.89 86.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -62.08 -32.23 72.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.285 0.564 . . . . 0.0 110.065 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -74.46 -41.2 61.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.83 -27.6 68.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.186 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.537 ' HB1' HG23 ' A' ' 802' ' ' THR . . . -58.82 -36.78 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.186 175.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -78.41 -22.86 47.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.198 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -72.25 -6.99 46.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.704 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.888 178.39 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . 0.592 ' HH ' ' HA ' ' A' ' 840' ' ' ILE . 23.0 m-85 . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.672 0.272 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -68.07 -41.65 81.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.604 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -73.56 -49.14 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.9 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 33.7 p -68.64 -42.63 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -49.78 -48.16 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 808' ' ' VAL . 30.2 m -57.56 -51.17 70.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.067 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.558 ' HB ' HG22 ' A' ' 901' ' ' THR . 78.7 mt -62.6 -46.81 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.623 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.442 ' HA ' HD11 ' A' ' 806' ' ' LEU . 1.3 mm? -52.17 -44.22 64.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.702 0.286 . . . . 0.0 111.225 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' THR . . . . . 0.532 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 26.9 m -76.29 -43.93 39.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.018 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.569 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 84.9 t -63.05 -28.81 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 O-C-N 122.118 -0.364 . . . . 0.0 110.781 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 898' ' ' ARG . 53.9 m -54.53 -52.79 60.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.096 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.825 ' HB3' HH22 ' A' ' 898' ' ' ARG . 10.0 pt-20 -67.44 -24.51 65.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.788 -176.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.569 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.4 m-20 -59.92 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 890' ' ' LEU . 2.9 mp -61.41 -36.11 70.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.82 0.343 . . . . 0.0 110.37 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.414 ' HA ' ' HE1' ' A' ' 816' ' ' MET . 98.4 m-85 -75.69 -28.56 58.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.5 m -76.68 -40.26 49.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.216 0.531 . . . . 0.0 110.151 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.556 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 18.9 m -82.14 -3.71 55.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.583 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.7 ttm -56.2 123.2 13.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.063 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.79 -36.61 2.09 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . 0.46 ' OD2' ' HG2' ' A' ' 821' ' ' GLU . 16.6 t70 -108.63 131.79 54.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.766 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -65.21 -55.97 15.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.583 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.41 -40.77 78.28 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.35 -0.453 . . . . 0.0 113.235 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 815' ' ' SER . 39.5 mm-40 -62.6 -50.59 70.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 111.207 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.583 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.6 mtp -63.33 -41.7 98.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.412 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 875' ' ' LYS . 99.2 t -64.54 -39.33 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 828' ' ' ILE . 36.8 ttp-105 -64.3 -41.94 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.778 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 82.8 mm-40 -61.74 -41.82 98.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.652 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 871' ' ' VAL . . . -62.69 -40.21 96.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -64.93 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 824' ' ' ARG . 84.7 mt -61.59 -44.04 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.955 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.403 HD21 HG23 ' A' ' 805' ' ' ILE . 49.0 mt -58.07 -46.36 85.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.068 176.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.43 90.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.952 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.68 -46.72 84.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.35 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.271 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.508 HG23 ' OG1' ' A' ' 867' ' ' THR . 99.3 m -63.49 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.771 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.2 m -61.39 -33.27 73.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.52 -50.05 72.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.811 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.542 HD13 HD13 ' A' ' 805' ' ' ILE . 20.4 mt -64.34 -47.3 79.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.759 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 833' ' ' THR . 80.1 t -51.99 -47.65 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.728 0.299 . . . . 0.0 110.718 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -72.47 -44.31 62.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.73 78.55 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.592 ' HA ' ' HH ' ' A' ' 798' ' ' TYR . 77.2 mt -61.23 -43.53 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -67.3 -37.83 84.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.868 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.64 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.74 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.93 -33.09 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.321 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.98 68.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -73.15 -26.77 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.648 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -94.01 -17.88 39.11 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.803 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.12 118.95 11.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.909 0.385 . . . . 0.0 110.359 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.3 p -84.28 -15.73 45.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.712 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.52 115.87 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 850' ' ' LEU . 21.3 tp -65.83 -43.04 89.71 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.439 -173.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.7 -45.02 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.392 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . 0.447 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.4 t30 -68.61 -33.5 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 24.9 t -63.58 -47.91 79.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.31 -41.32 93.24 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.681 174.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -66.99 -42.29 85.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.332 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 90.0 mt -64.8 -43.06 94.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.438 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.24 -42.74 99.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 22.7 t -60.59 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.412 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.7 77.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.33 92.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.945 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.98 -53.07 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.587 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.74 -44.43 90.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.751 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.418 ' HA ' ' HB1' ' A' ' 900' ' ' ALA . 12.7 tp -60.19 -55.75 30.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.333 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.68 55.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.53 -39.83 21.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -57.72 -36.97 72.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.508 ' OG1' HG23 ' A' ' 833' ' ' THR . 8.0 m -68.68 -46.16 69.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.331 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.41 77.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.794 -0.185 . . . . 0.0 111.027 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -65.31 -39.13 92.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.609 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.3 tpt -62.44 -53.54 53.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.105 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.524 ' HA ' ' HB3' ' A' ' 826' ' ' ALA . 55.2 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.56 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.99 -38.43 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.173 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.31 84.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.493 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.3 86.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.745 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 823' ' ' VAL . 57.7 mtpt -57.27 -44.35 83.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.5 -43.38 61.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.46 64.72 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.076 0.465 . . . . 0.0 111.106 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.766 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -81.27 -61.46 1.94 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.8 78.07 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 -175.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -106.64 81.13 0.82 Allowed Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -61.5 -36.41 77.09 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.637 2.225 . . . . 0.0 112.724 -168.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.05 -13.76 59.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.356 -173.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 70.3 m -72.05 103.5 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -174.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.35 -42.14 90.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.783 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 1.8 mp0 -53.03 -50.07 64.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.664 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.54 -36.73 83.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.847 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -58.96 -50.57 73.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.428 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 58.4 tp60 -59.06 -44.74 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 86.5 mtt180 -57.74 -40.69 80.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.678 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . 0.413 HD13 HG21 ' A' ' 812' ' ' ILE . 54.9 tp -65.18 -43.7 90.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.127 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 98.3 mtt180 -55.85 -51.1 68.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.29 -28.85 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.29 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . 0.609 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -72.23 -45.12 61.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.267 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.99 -44.58 96.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.242 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.61 -34.8 77.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.596 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.07 -37.47 87.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.64 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . 0.54 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.7 tm? -66.78 -45.98 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.825 HH22 ' HB3' ' A' ' 810' ' ' GLU . 28.7 ttm180 -60.57 -44.31 96.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.09 -45.55 92.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.909 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -64.74 -45.8 84.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.558 HG22 ' HB ' ' A' ' 805' ' ' ILE . 51.2 m -63.75 -45.93 87.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.886 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.489 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 27.8 t-20 -61.75 -39.42 91.54 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.96 98.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.724 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.09 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.086 0.469 . . . . 0.0 110.439 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -67.94 -32.95 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.817 177.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -78.1 -37.73 45.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.244 173.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -59.43 -27.02 65.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.05 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.199 178.753 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 . . . . . 0 CA--C 1.519 -0.217 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.43 -30.19 69.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.049 -169.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -70.68 -40.17 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.96 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.669 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.504 HG23 ' HB3' ' A' ' 905' ' ' ALA . 22.1 p -68.94 -35.67 77.07 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.41 -45.7 73.01 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.0 m -59.37 -54.21 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.567 HG23 HD22 ' A' ' 829' ' ' LEU . 80.4 mt -60.5 -48.9 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.24 -48.21 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.3 m -68.7 -45.28 72.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.484 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.679 HG12 HE21 ' A' ' 825' ' ' GLN . 80.2 t -61.91 -35.07 65.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 0.0 110.561 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.766 HG22 ' HB2' ' A' ' 898' ' ' ARG . 85.8 m -67.26 -49.2 65.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.83 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.09 -25.52 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.794 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -70.46 -21.69 62.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.716 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 816' ' ' MET . 19.2 mm -60.59 -49.63 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 109.663 176.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.401 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 40.8 m-85 -64.2 -28.31 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.69 -178.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.0 m -78.08 -31.97 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.1 m -82.84 -11.52 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.489 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.634 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 87.4 mtp -51.42 120.82 5.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.293 0.568 . . . . 0.0 111.263 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.84 -28.18 5.49 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.59 111.0 21.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.423 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.72 -54.24 34.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.844 -172.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.32 -33.27 74.97 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.251 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.1 mm-40 -67.0 -51.8 50.56 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.59 -0.359 . . . . 0.0 110.645 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.634 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.7 mtp -58.25 -43.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.334 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.0 t -63.55 -42.79 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -59.07 -50.08 75.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.679 HE21 HG12 ' A' ' 808' ' ' VAL . 15.6 mm100 -62.23 -34.56 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.41 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 22.2 mtm180 -68.7 -31.75 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 825' ' ' GLN . 69.3 mt -63.31 -41.42 92.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.742 175.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.567 HD22 HG23 ' A' ' 805' ' ' ILE . 48.1 mt -61.9 -45.69 92.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.631 176.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.63 85.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.746 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.46 -53.78 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.778 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.13 97.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.727 -177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.541 HG21 ' OG1' ' A' ' 867' ' ' THR . 98.2 m -61.21 -40.22 93.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.6 m -63.25 -40.56 97.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.607 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.23 -37.81 84.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.507 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -69.2 -48.65 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.025 -178.568 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.66 HG12 ' HB1' ' A' ' 860' ' ' ALA . 92.2 t -57.47 -41.42 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.582 -177.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.64 -41.71 91.11 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.69 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.56 85.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.845 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 836' ' ' LEU . 73.3 mt -59.77 -49.77 82.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.826 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 98.3 mttt -61.55 -51.51 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.825 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.94 75.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.911 0.386 . . . . 0.0 111.396 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -78.14 -34.3 49.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 0.0 110.175 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.93 99.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.637 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 845' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.1 mt-10 -67.33 -34.77 78.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.249 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -73.89 -22.02 78.55 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.437 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.87 129.29 39.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 18.5 m -76.63 -26.24 54.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.498 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.3 109.8 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.88 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.741 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.42 -47.25 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.333 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.24 -36.01 82.68 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 23.5 t -60.49 -49.72 76.44 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -60.45 -47.83 84.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.168 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -60.08 -40.77 90.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.472 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -44.73 88.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.716 0.293 . . . . 0.0 110.553 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.53 -38.49 91.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 51.0 m -66.25 -46.09 78.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.35 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.58 97.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.66 ' HB1' HG12 ' A' ' 837' ' ' VAL . . . -61.72 -39.83 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.747 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.13 -48.89 69.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.481 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.1 -44.2 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.445 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.42 ' HG ' HG22 ' A' ' 833' ' ' THR . 9.7 tp -62.88 -57.77 9.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.311 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 837' ' ' VAL . . . -56.99 -25.86 59.12 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.254 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.49 -40.89 17.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.68 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.26 69.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.541 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.3 m -65.74 -49.36 68.71 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.188 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.62 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.763 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.84 -41.73 98.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.561 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.8 OUTLIER -64.72 -56.23 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.768 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.36 -48.03 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.899 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.81 -28.84 67.11 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.225 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -74.35 -43.36 56.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.88 99.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.964 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -56.41 -38.32 71.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.111 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -80.48 -41.77 11.03 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 877' ' ' ALA . . . . . 0.47 ' HB2' ' OE1' ' A' ' 887' ' ' GLN . . . -67.54 -34.5 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.151 0.5 . . . . 0.0 111.247 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 878' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -74.06 -62.43 1.51 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.016 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.46 72.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -107.1 80.66 0.85 Allowed Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 169.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.82 -26.38 38.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.469 2.113 . . . . 0.0 112.283 -171.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.19 -30.82 58.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.605 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 883' ' ' SER . . . . . 0.402 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.6 m -68.83 104.06 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.543 -174.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.17 -30.08 69.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.131 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.0 -42.97 81.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 110.08 176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 886' ' ' GLN . . . . . 0.467 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 13.7 mm100 -67.08 -43.45 82.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 887' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 17.1 mm-40 -62.09 -44.17 97.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.51 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 888' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 25.8 tp60 -60.36 -41.52 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -60.98 -45.57 94.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.339 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.46 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.461 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 891' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.6 mtt180 -48.13 -51.96 22.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.072 0.463 . . . . 0.0 110.693 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -80.51 -34.36 35.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.986 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 893' ' ' ALA . . . . . 0.468 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.28 -48.17 62.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.584 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 894' ' ' ALA . . . . . 0.525 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -70.56 -43.33 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.69 0.281 . . . . 0.0 110.779 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.89 -38.59 89.15 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -62.71 -38.04 95.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.742 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.46 -47.67 83.0 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 898' ' ' ARG . . . . . 0.766 ' HB2' HG22 ' A' ' 809' ' ' THR . 25.0 ttp180 -61.45 -43.92 98.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 178.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -59.73 -47.72 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.846 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.66 96.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.883 0.373 . . . . 0.0 111.037 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 901' ' ' THR . . . . . 0.563 HG21 ' HB ' ' A' ' 805' ' ' ILE . 42.3 m -64.35 -46.52 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.137 0.494 . . . . 0.0 110.688 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 902' ' ' ASN . . . . . 0.444 ' O ' ' HB1' ' A' ' 905' ' ' ALA . 34.4 t-20 -62.27 -41.27 98.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.754 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.55 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.71 -29.5 70.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.289 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 905' ' ' ALA . . . . . 0.504 ' HB3' HG23 ' A' ' 802' ' ' THR . . . -63.91 -36.68 84.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.974 176.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -78.12 -25.36 47.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 111.022 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.17 -15.87 58.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.759 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.396 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.756 179.356 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.8 mm 57.36 79.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.786 0.803 . . . . 0.0 109.454 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.79 145.61 30.95 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.98 -171.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -84.09 25.54 0.69 Allowed 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.907 2.405 . . . . 0.0 111.768 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -87.47 102.75 14.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.229 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.5 m 60.55 32.87 20.52 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.628 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -103.42 -71.15 0.74 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.276 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -100.95 -28.77 12.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.642 0.734 . . . . 0.0 109.101 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -145.98 -177.73 5.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.137 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 20.1 m -81.85 78.09 8.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.322 0.582 . . . . 0.0 110.634 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 72.26 -176.54 41.05 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.261 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 794' ' ' PRO . . . -141.71 81.97 1.79 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . 0.445 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -98.56 107.7 3.48 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.36 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.445 ' HD3' ' HA2' ' A' ' 793' ' ' GLY . 44.2 Cg_endo -97.5 178.97 0.42 Allowed 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.138 3.225 . . . . 0.0 112.695 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 799' ' ' ASP . . . 60.82 -163.66 0.25 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.895 174.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -140.37 -74.96 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.716 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.975 ' HB3' ' HB3' ' A' ' 908' ' ' ALA . 13.0 tpp180 -153.47 -48.03 0.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.838 0.352 . . . . 0.0 110.983 178.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.439 ' CZ ' HG12 ' A' ' 840' ' ' ILE . 15.5 m-85 -106.16 16.14 25.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.239 -177.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . 0.421 ' HB3' ' HB1' ' A' ' 795' ' ' ALA . 21.7 t70 -66.26 -41.0 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.418 -165.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -63.31 -42.11 99.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.715 0.293 . . . . 0.0 110.72 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . 0.543 ' HB1' HD22 ' A' ' 836' ' ' LEU . . . -76.95 -40.5 46.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.2 p -65.68 -39.51 91.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.584 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -54.47 -44.94 73.03 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.203 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.479 ' O ' HG22 ' A' ' 808' ' ' VAL . 23.8 m -58.79 -54.11 50.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.456 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.691 ' HB ' HG22 ' A' ' 901' ' ' THR . 74.2 mt -60.72 -50.17 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.697 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -55.5 -38.33 69.02 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.607 0.241 . . . . 0.0 111.325 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.6 m -76.74 -50.08 14.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.485 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.582 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 86.3 t -61.07 -32.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.301 -176.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 71.1 m -53.34 -47.58 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.258 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.95 -26.86 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.151 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.582 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 89.6 m-20 -67.98 -28.58 67.56 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.473 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.573 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -67.5 -37.02 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.04 0.447 . . . . 0.0 110.382 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.423 ' HA ' ' HE2' ' A' ' 816' ' ' MET . 97.5 m-85 -73.71 -28.04 61.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.101 0.476 . . . . 0.0 110.199 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 25.4 t -76.33 -42.74 43.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 31.8 p -80.69 -7.35 59.3 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.693 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.7 ttm -48.02 110.56 0.34 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.41 -32.13 2.88 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.0 t70 -101.31 110.36 22.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.729 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.76 -52.58 59.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.378 -172.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.72 -46.12 76.36 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.271 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 37.9 tt0 -72.11 -35.51 69.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.949 0.375 . . . . 0.0 111.409 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.693 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 81.2 mtp -62.67 -49.83 73.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 111.012 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.542 HG23 ' HA ' ' A' ' 875' ' ' LYS . 56.1 t -62.73 -34.92 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 821' ' ' GLU . 40.2 ttm180 -55.19 -47.31 75.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.864 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.573 ' HB2' HG13 ' A' ' 812' ' ' ILE . 72.3 mm-40 -64.3 -40.07 95.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.74 93.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.052 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.1 mtt180 -61.9 -36.05 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.319 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.1 mt -66.43 -43.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.237 177.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.621 HD21 HG21 ' A' ' 805' ' ' ILE . 28.0 mt -60.03 -46.22 90.25 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.772 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.94 -48.09 82.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.47 -49.76 76.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.719 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.08 94.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.479 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.544 HG21 ' HG ' ' A' ' 863' ' ' LEU . 87.9 m -64.44 -36.61 84.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.491 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.2 m -60.13 -36.78 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.61 -47.38 85.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.969 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.543 HD22 ' HB1' ' A' ' 801' ' ' ALA . 49.7 mt -68.34 -46.2 70.81 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.213 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 833' ' ' THR . 92.0 t -52.23 -44.17 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.409 . . . . 0.0 111.081 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -76.4 -33.01 58.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.036 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -71.38 -50.66 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 836' ' ' LEU . 73.5 mt -54.09 -40.83 47.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.405 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.97 -51.78 68.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.9 77.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.23 -35.81 71.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.251 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.02 96.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.805 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.3 -17.14 63.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.702 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.5 -19.44 62.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.083 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.08 145.46 48.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 11.2 t -97.0 36.87 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.907 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -143.71 133.84 24.32 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.026 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.611 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -68.06 -56.09 10.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.486 -178.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -58.68 -45.7 88.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.44 -35.48 81.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.9 t -67.5 -43.49 80.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 79.8 mtp180 -61.11 -40.14 92.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.376 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.38 -45.59 90.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.12 -48.76 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.67 -38.4 78.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.77 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.8 t -68.53 -43.11 77.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.348 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.58 90.23 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.79 99.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 110.601 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.7 -42.6 97.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.749 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.34 -49.25 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.178 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.544 ' HG ' HG21 ' A' ' 833' ' ' THR . 12.1 tp -57.15 -56.87 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.6 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.93 -29.21 55.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.653 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.86 -37.56 19.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.355 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -57.63 -38.6 75.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 7.6 m -68.12 -47.91 66.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.066 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.32 -47.61 78.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.42 -43.03 95.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.633 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.447 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.6 OUTLIER -59.24 -55.78 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.47 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.471 HG12 ' HE3' ' A' ' 875' ' ' LYS . 53.7 t -57.06 -44.92 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.617 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.67 -38.29 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 0.0 111.102 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.98 -40.07 72.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.543 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.89 97.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.542 ' HA ' HG23 ' A' ' 823' ' ' VAL . 96.7 mttt -54.97 -50.09 69.8 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.4 -41.58 77.11 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.871 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.512 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.01 -26.66 65.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.88 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.729 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -79.55 -61.42 2.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.563 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.4 75.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -106.54 82.03 0.94 Allowed Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.75 -51.49 2.37 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.779 2.319 . . . . 0.0 113.578 -167.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.66 -17.49 59.11 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 61.5 m -59.41 123.76 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.352 0.596 . . . . 0.0 112.186 -174.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.43 -54.55 22.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.756 -173.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 889' ' ' ARG . 46.6 mt-10 -59.75 -39.69 85.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.351 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.512 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 13.9 mm100 -60.04 -42.95 95.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.538 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.8 mm-40 -65.41 -47.82 74.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.536 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -58.95 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.859 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 885' ' ' GLU . 16.0 ptp180 -62.56 -34.34 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.28 -46.25 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.566 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.9 mtt180 -53.01 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -74.01 -40.95 62.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.457 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.55 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.134 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -66.73 -43.35 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.945 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 899' ' ' MET . 44.8 mt-10 -67.58 -35.04 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.491 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.37 98.72 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.512 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.458 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.6 tm? -62.14 -39.26 92.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.85 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -62.83 -45.16 93.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.228 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 899' ' ' MET . . . . . 0.566 ' HG2' ' O ' ' A' ' 895' ' ' GLU . 26.4 mmt -60.41 -53.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.838 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.33 84.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.524 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.691 HG22 ' HB ' ' A' ' 805' ' ' ILE . 56.8 m -65.64 -45.54 82.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.454 ' HB2' HD11 ' A' ' 806' ' ' LEU . 64.0 t30 -65.6 -31.11 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.2 0.524 . . . . 0.0 110.18 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.45 61.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.649 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.58 -36.82 74.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.025 0.441 . . . . 0.0 110.125 176.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.357 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -75.3 -37.43 60.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.394 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -82.31 -4.97 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.874 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.975 ' HB3' ' HB3' ' A' ' 797' ' ' ARG . . . -49.95 127.77 17.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . 0.492 ' O ' ' HB2' ' A' ' 797' ' ' ARG . 49.9 mm -71.14 110.19 3.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.315 0.579 . . . . 0.0 111.802 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -114.03 151.15 32.89 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.689 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp . . . . . 0 C--O 1.247 0.938 0 CA-C-O 117.807 -1.092 . . . . 0.0 110.688 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 48.2 mm -71.13 109.6 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.866 0.333 . . . . 0.0 110.211 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -107.04 95.86 13.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.77 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.69 165.16 32.16 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.579 2.186 . . . . 0.0 112.173 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.62 128.09 34.3 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 18.4 m 61.36 66.97 0.82 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.531 0.682 . . . . 0.0 110.396 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -73.53 136.43 44.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.236 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -88.66 92.88 9.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.787 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -117.03 -39.87 3.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.381 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 28.4 m -72.29 109.01 5.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.213 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 73.16 33.6 59.09 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.079 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -79.02 164.15 24.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.958 0.409 . . . . 0.0 111.265 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -101.35 -148.44 21.63 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.697 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.68 111.22 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.041 2.494 . . . . 0.0 112.545 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -80.78 95.99 6.83 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -82.73 -69.39 1.39 Allowed Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.533 ' HA ' ' NE ' ' A' ' 797' ' ' ARG . 3.1 tpm_? -173.65 -39.41 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.777 0.322 . . . . 0.0 111.057 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.483 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 3.8 m-85 -108.41 -13.62 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.719 -171.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.57 -23.99 64.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -167.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -73.91 -48.06 33.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.82 76.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.017 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 11.8 p -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.36 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.04 -40.76 59.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 808' ' ' VAL . 66.1 m -69.3 -48.72 60.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.312 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.716 HD12 HD13 ' A' ' 836' ' ' LEU . 65.5 mt -60.97 -45.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.341 -177.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.8 mm? -55.75 -44.73 77.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.644 0.259 . . . . 0.0 110.51 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' THR . . . . . 0.434 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 31.1 m -65.15 -47.14 78.1 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.393 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 804' ' ' THR . 60.1 t -62.63 -35.39 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 110.551 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.445 HG21 ' HB2' ' A' ' 898' ' ' ARG . 95.8 m -58.63 -47.96 82.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 111.145 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 35.9 mt-10 -59.98 -26.51 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.472 ' HB3' HE21 ' A' ' 825' ' ' GLN . 6.3 m-80 -69.89 -23.13 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.798 -175.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.484 ' CG2' HD22 ' A' ' 890' ' ' LEU . 3.0 mp -65.18 -41.99 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.492 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.28 -27.58 65.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.7 m -76.1 -28.35 57.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.313 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 32.1 m -83.83 -3.48 57.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.3 mmt -47.54 124.3 6.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.157 0.503 . . . . 0.0 111.738 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.36 -67.53 0.54 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.782 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -86.02 128.97 34.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.622 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.494 ' HA ' ' HB3' ' A' ' 878' ' ' ALA . . . -64.44 -53.94 40.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -176.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.41 57.4 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 113.176 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.67 -52.24 64.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 111.254 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.501 ' HB2' ' HB1' ' A' ' 878' ' ' ALA . 84.4 mtp -62.99 -45.15 93.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.284 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 77.3 t -61.18 -41.58 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.456 ' O ' HG13 ' A' ' 828' ' ' ILE . 40.1 ttp180 -59.67 -46.25 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.822 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.472 HE21 ' HB3' ' A' ' 811' ' ' ASN . 10.2 mm100 -62.88 -39.12 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.789 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.85 89.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 18.1 mtp180 -68.54 -38.52 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.212 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 824' ' ' ARG . 72.9 mt -62.63 -41.91 94.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.977 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.9 -45.96 85.65 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.626 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.06 91.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -66.56 -49.04 67.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.36 96.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.281 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.498 HG21 ' OG1' ' A' ' 867' ' ' THR . 80.3 m -66.72 -34.77 78.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 22.6 t -60.7 -40.0 90.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.096 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.11 -42.71 95.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.28 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.716 HD13 HD12 ' A' ' 805' ' ' ILE . 4.5 mt -71.04 -49.07 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.674 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 833' ' ' THR . 85.4 t -53.65 -46.66 61.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 0.0 111.267 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -64.49 -39.02 93.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.919 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -70.05 -43.99 70.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.6 mt -58.97 -48.09 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.715 0.293 . . . . 0.0 110.785 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.04 -40.44 93.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.753 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.44 74.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.156 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.31 -31.39 65.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.476 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -64.72 -35.51 81.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.891 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.32 -38.07 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 110.134 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.5 -33.45 64.0 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.29 116.82 3.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.867 0.365 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.3 m -72.99 -23.78 60.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.739 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.419 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 11.9 t70 -75.32 123.77 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.015 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 850' ' ' LEU . 1.3 tm? -68.38 -50.72 51.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.407 -173.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.419 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 8.8 pt-20 -65.42 -37.63 87.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.517 -176.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.41 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 49.8 t30 -71.53 -31.2 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.947 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 t -63.07 -49.62 73.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.178 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.391 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.25 -48.99 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.645 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 844' ' ' ALA . 92.7 mt -60.81 -47.95 83.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.909 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.09 -38.43 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 28.7 m -66.3 -38.73 88.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.81 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.44 88.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.873 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.18 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.94 -44.87 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.3 -57.25 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.564 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.64 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.873 0.368 . . . . 0.0 111.441 -174.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -85.38 -34.96 21.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.15 72.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.934 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.498 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.1 m -69.79 -45.68 67.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.789 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.56 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -68.93 -34.42 75.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.381 . . . . 0.0 110.394 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.471 ' HA ' ' HB3' ' A' ' 893' ' ' ALA . 11.8 tpt -63.86 -48.45 76.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.57 176.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 867' ' ' THR . 55.5 t -59.6 -42.56 88.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.109 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.77 -37.85 87.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.324 . . . . 0.0 111.056 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.36 73.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.57 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.74 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.934 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -54.79 -50.91 67.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.854 0.359 . . . . 0.0 110.763 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.61 -42.49 80.39 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.81 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.61 -30.3 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.989 0.423 . . . . 0.0 111.223 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.501 ' HB1' ' HB2' ' A' ' 822' ' ' MET . . . -81.23 -62.93 1.52 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.77 71.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.266 -174.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -106.99 78.86 0.62 Allowed Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.67 -35.97 26.64 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.535 2.156 . . . . 0.0 112.547 -169.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.55 -6.86 53.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.829 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 14.5 t -83.86 99.16 10.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.927 0.394 . . . . 0.0 110.407 -177.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.74 -29.76 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.9 OUTLIER -64.42 -40.72 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -64.92 -36.33 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.993 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 883' ' ' SER . 68.2 mm-40 -62.73 -41.54 99.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 110.043 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -65.24 -41.7 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.585 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 89.3 mtt180 -57.81 -43.76 85.92 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.078 0.466 . . . . 0.0 110.272 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.484 HD22 ' CG2' ' A' ' 812' ' ' ILE . 58.6 tp -64.21 -41.12 97.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.952 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 80.8 mtp180 -54.1 -52.22 61.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.051 0.453 . . . . 0.0 110.487 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.89 -37.48 79.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.384 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -69.02 -44.29 73.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.569 0.223 . . . . 0.0 111.283 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.19 93.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.05 -42.75 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.382 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.64 -46.93 90.97 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.401 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.28 -45.14 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.311 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.445 ' HB2' HG21 ' A' ' 809' ' ' THR . 54.1 ttt180 -59.18 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.119 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.18 -45.14 94.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.096 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.28 86.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.05 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.447 HG22 ' CG2' ' A' ' 805' ' ' ILE . 33.4 m -65.59 -46.75 78.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.987 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.45 ' O ' ' HB1' ' A' ' 905' ' ' ALA . 36.0 t-20 -60.88 -38.58 86.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.249 0.547 . . . . 0.0 109.761 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -68.54 -43.76 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.812 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.09 70.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 902' ' ' ASN . . . -60.64 -37.47 81.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.707 175.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' A' ' 910' ' ' LYS . 62.8 mm-40 -74.19 -23.74 59.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.14 -6.52 39.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' A' ' 909' ' ' ILE . . . -82.41 52.32 2.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 908' ' ' ALA . 78.0 mt 71.81 116.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.198 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 906' ' ' GLN . 30.6 mmmt -117.64 113.44 21.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.303 176.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.683 176.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.991 -0.443 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 6.5 tp -89.64 117.89 33.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.712 0.292 . . . . 0.0 110.432 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 29.1 t70 66.09 114.21 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.997 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.06 100.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.835 2.356 . . . . 0.0 112.292 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . 0.479 ' C ' ' H ' ' A' ' 787' ' ' ALA . 45.1 t80 -89.93 68.96 7.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.256 -176.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 26.9 p 57.94 -13.21 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 785' ' ' PHE . . . 56.71 86.78 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.318 0.647 . . . . 0.0 111.67 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 64.95 27.83 12.67 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.642 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 58.81 -90.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.761 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 12.8 t -85.66 -7.32 58.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.397 0.618 . . . . 0.0 110.578 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 103.89 -127.95 9.32 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.647 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -174.29 -16.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.604 0.24 . . . . 0.0 111.519 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 68.71 -121.86 13.1 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.085 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.64 153.96 52.0 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.623 2.215 . . . . 0.0 111.192 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.638 ' HB3' ' HB2' ' A' ' 800' ' ' GLN . . . -72.45 92.23 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.801 0.334 . . . . 0.0 111.572 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . 0.536 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . 52.2 -134.35 37.09 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.236 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -123.14 -34.97 3.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.634 0.254 . . . . 0.0 110.819 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.632 ' OH ' ' HB3' ' A' ' 843' ' ' ASP . 4.4 m-85 -123.32 1.85 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 173.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . 0.536 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 3.1 m-20 -68.83 -34.75 76.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.261 -165.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . 0.638 ' HB2' ' HB3' ' A' ' 795' ' ' ALA . 20.9 tm0? -72.53 -46.24 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.47 91.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.235 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 15.7 p -62.9 -53.3 56.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.99 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -50.7 -42.95 57.6 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.362 0.414 . . . . 0.0 110.672 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 808' ' ' VAL . 88.3 m -56.75 -53.14 61.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.702 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.859 HD11 HD13 ' A' ' 836' ' ' LEU . 67.2 mt -58.31 -45.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.489 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.0 OUTLIER -53.12 -50.37 64.61 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.765 0.317 . . . . 0.0 110.633 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.1 m -64.69 -47.6 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 804' ' ' THR . 99.1 t -59.57 -39.69 80.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 88.7 m -55.13 -48.19 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.23 0.538 . . . . 0.0 111.411 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 37.3 mt-10 -62.01 -25.72 67.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.714 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.33 -25.69 62.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.581 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -64.19 -35.92 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.136 0.493 . . . . 0.0 110.267 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -68.13 -27.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.183 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.8 m -78.18 -26.3 47.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.311 175.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 50.6 m -81.18 -4.56 55.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.8 mmt -49.32 109.76 0.3 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.762 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.03 -25.7 5.46 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.707 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . 0.521 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.4 t70 -117.8 106.63 13.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 878' ' ' ALA . . . -63.33 -48.62 77.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.564 -174.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.01 -47.23 60.37 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 113.203 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.421 ' HG3' ' NH1' ' A' ' 824' ' ' ARG . 36.3 tt0 -68.85 -37.18 78.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.989 0.394 . . . . 0.0 111.489 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.521 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 92.2 mtp -58.42 -43.75 88.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.353 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 60.9 t -69.89 -36.17 68.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.441 ' O ' HG13 ' A' ' 828' ' ' ILE . 28.9 ttm180 -55.67 -51.93 65.59 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.581 ' HB2' HG13 ' A' ' 812' ' ' ILE . 14.6 mm100 -63.19 -36.15 82.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.125 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.99 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.853 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.3 mtt180 -61.96 -39.1 90.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.998 0.427 . . . . 0.0 110.266 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 824' ' ' ARG . 62.8 mt -62.36 -41.93 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.355 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.475 HD22 HG21 ' A' ' 805' ' ' ILE . 28.8 mt -60.05 -46.22 90.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.088 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.47 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.86 -37.51 87.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.247 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.69 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.527 HG21 ' OG1' ' A' ' 867' ' ' THR . 86.1 m -62.62 -36.63 83.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 95.2 p -61.47 -47.81 83.99 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.387 0.613 . . . . 0.0 109.858 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . 0.451 ' HA ' ' ND2' ' A' ' 838' ' ' ASN . 28.7 t70 -67.83 -34.28 76.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.875 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.859 HD13 HD11 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -63.45 -46.68 85.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.18 178.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 833' ' ' THR . 84.2 t -56.93 -35.42 47.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . 0.451 ' ND2' ' HA ' ' A' ' 835' ' ' ASP . 57.6 m-20 -59.59 -50.5 73.66 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.921 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.454 HG22 ' HB2' ' A' ' 860' ' ' ALA . 69.6 mt -60.28 -51.01 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.813 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.83 -46.31 89.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.976 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.49 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . 0.632 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.7 t70 -78.42 -29.84 47.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.038 0.447 . . . . 0.0 110.071 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.23 85.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.6 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -74.6 -26.35 67.76 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.58 146.99 42.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 22.3 m -101.33 -20.71 15.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -77.95 114.86 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.549 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.3 OUTLIER -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.653 -174.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -66.71 -32.06 73.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.085 0.469 . . . . 0.0 109.924 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.0 m -63.12 -44.2 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.845 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 48.5 mtp180 -63.2 -37.34 86.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -54.33 -52.47 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.48 -48.71 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.139 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.66 -48.06 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.562 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 16.3 t -63.14 -38.87 92.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.92 95.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.454 ' HB2' HG22 ' A' ' 840' ' ' ILE . . . -63.4 -34.88 78.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.001 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -72.28 -44.16 63.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.8 -44.16 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.167 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 8.0 tp -60.02 -58.08 10.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.446 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . 0.406 ' HB1' HG22 ' A' ' 837' ' ' VAL . . . -55.91 -31.95 63.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.1 0.476 . . . . 0.0 111.46 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.87 -31.45 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.221 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.428 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -62.47 -36.89 83.91 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.527 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.7 m -64.86 -48.72 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.31 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.77 77.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.336 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.08 -36.05 81.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.427 ' HE3' HG12 ' A' ' 812' ' ' ILE . 0.5 OUTLIER -62.54 -51.33 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.956 177.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 867' ' ' THR . 58.9 t -57.9 -46.97 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.31 -39.0 81.65 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 890' ' ' LEU . . . -70.89 -44.02 67.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.762 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.13 -47.02 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -56.1 -45.64 79.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.601 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.21 56.17 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.929 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -67.26 -27.71 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.459 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . . . -83.73 -66.75 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.038 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.546 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 -174.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -106.42 83.03 1.08 Allowed Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.546 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 11.8 Cg_exo -69.51 -29.61 24.77 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.698 2.265 . . . . 0.0 112.146 -172.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.16 -22.55 55.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.386 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -66.46 111.94 3.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.52 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -72.67 -39.97 66.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.968 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.8 OUTLIER -66.28 -33.02 74.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.827 -176.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.8 mm-40 -68.73 -42.48 77.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.579 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.05 -48.67 77.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.578 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.6 mtt180 -57.87 -43.65 86.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.424 ' HA ' ' HB3' ' A' ' 873' ' ' ALA . 52.3 tp -62.49 -46.29 89.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.3 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -56.33 -48.96 75.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.877 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.256 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.89 81.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.13 80.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.105 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.91 -30.78 69.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.27 -43.01 90.0 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.9 tm? -62.85 -44.58 95.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -57.49 -46.84 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.804 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 45.2 ttp -62.33 -46.05 90.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.343 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.5 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 111.303 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.499 HG21 ' HB ' ' A' ' 805' ' ' ILE . 22.5 m -65.02 -44.17 90.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.503 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.6 -38.34 77.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.069 177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.52 87.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.032 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.75 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.224 0.535 . . . . 0.0 110.348 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -65.45 -34.91 79.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 176.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -76.31 -43.04 43.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.34 -22.6 66.84 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.295 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -55.61 115.74 2.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.58 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 3.0 mp -52.18 104.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.287 0 O-C-N 124.083 0.864 . . . . 0.0 112.473 -169.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -138.13 115.08 10.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.656 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.798 ' HZ3' ' HB3' ' A' ' 911' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.816 -0.612 . . . . 0.0 110.366 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 38.3 mt 54.89 68.67 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.596 0.712 . . . . 0.0 109.431 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -113.46 139.32 23.13 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.614 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -77.82 145.75 22.97 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 123.029 2.486 . . . . 0.0 111.166 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 787' ' ' ALA . 50.1 t80 -144.6 162.61 36.19 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -176.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 12.6 p -73.94 32.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.12 0.485 . . . . 0.0 111.452 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 785' ' ' PHE . . . -72.73 101.48 3.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.226 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -88.3 110.01 20.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.914 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -70.3 136.62 49.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.765 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 54.5 m -75.11 120.66 20.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.672 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 149.02 -40.23 0.9 Allowed Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -113.81 93.43 4.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.019 0.438 . . . . 0.0 110.44 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -102.35 161.88 17.02 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.382 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.09 102.68 0.39 Allowed 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.462 2.108 . . . . 0.0 112.018 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -71.17 152.39 43.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.692 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . 0.69 ' HA2' ' HE3' ' A' ' 910' ' ' LYS . . . 60.46 -100.04 0.21 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.104 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.866 ' HB2' ' HB2' ' A' ' 908' ' ' ALA . 44.4 mmt-85 -148.81 -42.57 0.15 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.002 0.429 . . . . 0.0 110.489 174.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -128.63 28.17 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.225 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.06 -33.09 74.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.83 -50.64 63.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.11 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.541 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.676 HG22 HD11 ' A' ' 836' ' ' LEU . 21.6 p -62.71 -41.94 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -51.67 -41.89 61.72 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.428 ' O ' HG22 ' A' ' 808' ' ' VAL . 23.0 m -58.56 -51.07 71.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.732 HD13 HD12 ' A' ' 836' ' ' LEU . 43.5 mt -66.05 -50.85 66.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.763 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.6 mm? -52.98 -41.21 64.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 88.6 m -71.05 -52.81 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.675 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.456 HG12 ' HB ' ' A' ' 828' ' ' ILE . 87.8 t -63.96 -36.2 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.651 HG22 ' HB2' ' A' ' 898' ' ' ARG . 98.3 m -55.2 -54.11 47.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -62.28 -25.33 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.845 0.355 . . . . 0.0 110.679 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -67.54 -21.52 65.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.713 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.58 -33.07 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.26 0.552 . . . . 0.0 109.963 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -75.57 -27.37 58.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.691 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.3 m -76.62 -37.73 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.8 p -82.84 -4.57 58.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.355 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.527 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -51.94 107.73 0.22 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.608 0.568 . . . . 0.0 110.824 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.11 -30.4 3.06 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -98.97 114.04 26.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.53 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -52.2 59.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.871 -173.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.25 97.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.401 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 31.1 tt0 -73.33 -38.16 65.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.72 -0.283 . . . . 0.0 111.651 -174.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.527 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 86.6 mtp -60.14 -44.25 95.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.639 HG23 ' HA ' ' A' ' 875' ' ' LYS . 59.9 t -65.54 -39.06 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.952 0.406 . . . . 0.0 110.2 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -58.57 -45.85 88.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.833 176.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 14.4 mm100 -60.15 -38.93 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.3 86.24 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 98.4 mtt180 -61.06 -39.64 90.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.456 ' HB ' HG12 ' A' ' 808' ' ' VAL . 53.8 mt -64.91 -43.14 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.089 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.405 HD23 HG23 ' A' ' 805' ' ' ILE . 67.6 mt -60.97 -41.91 97.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.73 -50.25 72.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.686 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.23 -49.88 73.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.51 91.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.373 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.547 HG23 ' HG ' ' A' ' 863' ' ' LEU . 97.0 m -63.53 -37.5 87.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.531 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 25.0 m -61.62 -48.6 80.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.058 0.456 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.83 -42.73 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.865 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.732 HD12 HD13 ' A' ' 805' ' ' ILE . 0.6 OUTLIER -63.52 -53.06 57.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.683 -178.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.69 HG23 ' HB3' ' A' ' 864' ' ' ALA . 79.7 t -56.85 -44.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.8 -36.78 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.736 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.48 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.903 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.3 mt -63.85 -49.86 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 67.7 mttm -55.19 -43.31 74.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.885 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.63 96.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.343 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -78.06 -27.59 48.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 110.723 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.95 -23.75 66.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 110.368 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 13.4 mm-40 -71.75 -21.24 61.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.855 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -80.72 -9.05 86.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.84 131.23 42.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 0.0 110.2 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 38.9 m -91.06 -11.65 38.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -80.41 111.32 16.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.76 -42.6 93.62 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.209 0.318 . . . . 0.0 111.584 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.68 -38.61 83.95 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 121.065 0.459 . . . . 0.0 110.041 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.612 HD22 HG13 ' A' ' 909' ' ' ILE . 64.9 t30 -72.32 -33.88 67.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.188 176.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.444 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 47.3 m -61.28 -51.5 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.078 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -67.56 -25.52 65.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.748 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -63.42 -51.69 64.7 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 109.996 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.423 HD22 HG12 ' A' ' 909' ' ' ILE . 87.0 mt -61.16 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.379 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.6 mt -61.71 -36.96 82.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.132 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 66.6 m -65.2 -43.78 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.397 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.87 88.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.68 ' HB3' HG12 ' A' ' 837' ' ' VAL . . . -65.46 -41.46 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.096 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -68.32 -41.15 81.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.68 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.04 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.124 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.547 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -60.0 -57.81 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.743 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . 0.69 ' HB3' HG23 ' A' ' 837' ' ' VAL . . . -56.11 -26.71 50.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.254 0.55 . . . . 0.0 111.374 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.1 -35.0 22.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.697 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.73 72.99 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 833' ' ' THR . 6.2 m -68.6 -41.39 79.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.244 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.98 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.671 0.272 . . . . 0.0 110.494 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . 0.436 ' HG2' ' HB1' ' A' ' 893' ' ' ALA . 24.7 ttmm -57.89 -47.16 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.412 ' HA ' ' HB3' ' A' ' 893' ' ' ALA . 10.3 tpt -54.44 -55.14 31.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.293 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.9 t -57.9 -49.28 81.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.426 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.62 -45.91 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 111.228 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.64 83.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.98 -46.76 87.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.639 ' HA ' HG23 ' A' ' 823' ' ' VAL . 54.3 mtpt -59.59 -37.99 80.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 111.231 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -75.76 -44.95 18.56 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.694 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.39 -31.46 70.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -72.28 -63.84 1.07 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.376 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.484 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -55.83 -41.09 73.74 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.537 0.523 . . . . 0.0 111.55 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.35 88.96 3.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.9 Cg_exo -57.61 -44.14 44.34 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.866 2.378 . . . . 0.0 112.997 -170.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -76.99 -2.54 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -173.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 81.3 p -71.54 92.16 1.11 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.594 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.79 -28.53 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.76 -47.04 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -67.48 -34.65 77.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 883' ' ' SER . 81.4 mm-40 -60.84 -45.47 94.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.437 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -69.76 -39.3 76.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.507 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -60.75 -39.61 89.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.267 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.05 -39.25 93.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -65.8 -25.28 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.311 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -80.87 -47.57 13.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.532 . . . . 0.0 110.472 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 869' ' ' LYS . . . -67.25 -51.65 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.346 -174.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 0.0 111.301 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.11 -35.6 74.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.727 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.26 97.04 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.361 173.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.37 -46.15 89.92 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.651 ' HB2' HG22 ' A' ' 809' ' ' THR . 63.5 ttp85 -60.21 -47.94 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.637 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -61.11 -48.83 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.442 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.91 87.97 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.563 HG23 ' HB ' ' A' ' 805' ' ' ILE . 64.0 m -63.65 -49.17 74.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.169 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.73 -40.46 88.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 0.0 109.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -62.73 -48.98 76.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.58 75.74 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.418 ' HB2' HG23 ' A' ' 802' ' ' THR . . . -56.88 -53.43 57.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.121 177.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -78.93 -23.05 44.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.826 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 8.3 t-20 -69.08 -15.86 63.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.027 0.441 . . . . 0.0 110.466 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.866 ' HB2' ' HB2' ' A' ' 797' ' ' ARG . . . -50.1 121.27 5.25 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.671 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . 0.612 HG13 HD22 ' A' ' 852' ' ' ASN . 51.3 mm -70.65 118.0 14.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.341 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . 0.69 ' HE3' ' HA2' ' A' ' 796' ' ' GLY . 14.3 mmmm -82.77 105.17 13.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.412 -176.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 909' ' ' ILE . 14.3 mmmm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.237 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 33.9 pt -117.64 178.44 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.664 0.268 . . . . 0.0 110.594 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -111.83 100.02 47.19 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.533 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -92.69 11.52 2.15 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.194 2.596 . . . . 0.0 112.082 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -78.75 -45.54 20.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.351 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 18.2 m -114.4 73.36 0.82 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.382 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -173.83 97.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.424 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -136.16 108.23 7.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.431 0.634 . . . . 0.0 110.474 177.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -146.87 -177.55 5.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.432 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 22.3 m -145.85 120.15 9.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.993 0.425 . . . . 0.0 110.41 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -138.23 -145.17 4.79 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 843' ' ' ASP . . . 66.08 113.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.033 0.49 . . . . 0.0 112.001 177.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 150.89 -121.31 1.21 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.448 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.63 105.85 2.02 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.692 2.261 . . . . 0.0 112.026 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.658 ' H ' ' HA ' ' A' ' 910' ' ' LYS . . . -64.79 132.08 48.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.231 0.539 . . . . 0.0 110.598 176.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -179.68 -36.7 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -56.87 -41.48 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.923 0.868 . . . . 0.0 108.896 170.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.459 ' OH ' ' HB2' ' A' ' 843' ' ' ASP . 26.6 m-85 -72.18 -39.54 68.58 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.726 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.44 -41.81 84.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.99 -46.22 71.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.515 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.721 HG23 ' HB2' ' A' ' 905' ' ' ALA . 43.1 p -69.21 -37.23 77.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.193 -178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.64 -45.23 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.022 0.439 . . . . 0.0 110.054 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.413 ' O ' HG21 ' A' ' 808' ' ' VAL . 30.0 m -61.36 -55.41 31.92 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.632 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.675 HG23 HD22 ' A' ' 829' ' ' LEU . 88.0 mt -56.0 -51.29 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.395 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.4 mp -52.1 -48.74 64.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -70.44 -42.99 70.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.47 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.473 ' O ' HD11 ' A' ' 812' ' ' ILE . 93.2 t -65.14 -36.69 78.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 122.211 -0.306 . . . . 0.0 110.619 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 812' ' ' ILE . 81.5 m -56.01 -54.65 42.34 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.778 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.23 -25.58 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 0.0 109.897 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.6 -20.82 61.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.905 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 809' ' ' THR . 1.7 mp -58.19 -42.97 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.5 -34.85 78.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.3 m -73.42 -30.32 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.2 m -83.4 -3.59 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.661 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.569 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 82.6 mtp -58.55 103.83 0.18 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.303 0.573 . . . . 0.0 111.359 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.12 -46.95 0.45 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.0 t70 -99.0 117.35 33.32 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.441 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.91 -54.54 33.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.445 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.22 -38.58 78.27 Favored Glycine 0 CA--C 1.521 0.443 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.958 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 35.1 tt0 -69.2 -33.96 74.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -178.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.569 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 77.3 mtp -66.0 -40.97 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.514 176.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 875' ' ' LYS . 59.4 t -68.08 -33.89 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.187 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.43 ' O ' HG13 ' A' ' 828' ' ' ILE . 51.6 ttp180 -53.25 -48.11 68.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.33 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.5 -42.89 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.368 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.0 84.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.049 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 88.6 mtt180 -64.12 -38.37 90.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.469 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 824' ' ' ARG . 66.6 mt -63.56 -46.38 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.675 HD22 HG23 ' A' ' 805' ' ' ILE . 79.7 mt -61.53 -43.97 97.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.167 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.72 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.772 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -67.2 -49.41 64.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.12 97.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.588 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.457 ' O ' HG22 ' A' ' 837' ' ' VAL . 98.7 m -62.24 -32.41 73.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.02 0.438 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.1 m -61.07 -38.0 84.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.085 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.81 -40.48 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 110.419 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 49.3 mt -64.34 -45.45 87.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 833' ' ' THR . 88.3 t -55.61 -40.96 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.71 0.291 . . . . 0.0 110.695 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.28 -45.7 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.194 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.65 -52.42 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.9 -42.08 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.535 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.89 -41.37 95.92 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.897 0.379 . . . . 0.0 110.935 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.52 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.077 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . 0.51 ' HB3' HD13 ' A' ' 856' ' ' LEU . 4.8 t70 -62.67 -40.98 98.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.415 ' HB3' ' HB2' ' A' ' 856' ' ' LEU . . . -64.07 -22.74 67.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.582 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.52 -26.08 38.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -121.63 25.74 6.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.483 -173.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 179.3 3.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.267 0.556 . . . . 0.0 111.627 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 17.7 m -128.9 23.31 5.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.003 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.68 130.9 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.162 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -41.68 85.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.733 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.37 -39.49 93.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -58.36 -43.8 88.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.343 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 6.2 t -61.55 -42.42 98.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 854' ' ' ARG . 58.6 mtt180 -68.61 -46.33 69.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.14 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -56.45 -50.44 71.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.253 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.51 HD13 ' HB3' ' A' ' 843' ' ' ASP . 56.2 mt -62.27 -49.8 74.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.376 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.62 -30.16 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.204 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 m -73.24 -46.11 52.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.37 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.39 97.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.257 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -65.55 -49.67 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.81 -44.78 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.35 -58.13 9.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.362 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.99 -25.64 58.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.199 0.523 . . . . 0.0 111.028 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -85.2 -43.57 13.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.682 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.73 69.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 109.841 175.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.51 ' O ' HG23 ' A' ' 871' ' ' VAL . 8.3 m -66.16 -54.69 22.26 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.868 176.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.2 76.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -63.61 -41.39 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.472 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 6.0 ptm -80.44 -26.82 38.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.831 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 867' ' ' THR . 55.7 t -64.98 -50.07 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.63 -34.03 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.076 0.465 . . . . 0.0 110.708 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.27 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.68 83.0 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.581 ' HB3' ' HZ2' ' A' ' 875' ' ' LYS . 9.0 mtpm? -57.55 -44.38 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.9 -42.2 79.31 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.716 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.438 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -71.12 -29.3 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.243 0.544 . . . . 0.0 111.062 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.441 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -76.45 -60.92 2.13 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.552 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -61.15 -33.69 73.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 -176.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.98 84.5 1.6 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.3 Cg_exo -69.11 -36.82 11.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.957 2.438 . . . . 0.0 112.386 -172.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -77.32 -28.91 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.628 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.445 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 36.4 m -65.89 103.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.286 -176.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.34 -25.07 62.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.325 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.88 -38.22 87.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.267 0.556 . . . . 0.0 109.626 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 16.0 mm100 -69.57 -37.92 77.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.2 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 883' ' ' SER . 61.9 mm-40 -64.93 -41.23 95.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.011 177.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.0 -51.59 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.998 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.229 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.508 HD13 HG21 ' A' ' 812' ' ' ILE . 47.2 tp -59.68 -54.02 51.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.951 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.454 ' O ' ' HG3' ' A' ' 895' ' ' GLU . 49.7 mtm180 -58.04 -45.07 87.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.245 0.341 . . . . 0.0 111.195 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.73 -48.51 78.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.116 0.484 . . . . 0.0 111.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.7 -41.01 61.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -174.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.91 92.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.648 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 44.0 mt-10 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.807 0.337 . . . . 0.0 110.436 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.24 -33.75 74.01 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.56 -0.828 . . . . 0.0 111.905 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.44 -41.61 88.87 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -57.36 -44.84 84.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.662 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -52.47 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.312 175.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.14 77.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.005 0.431 . . . . 0.0 111.446 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.507 HG23 ' HB ' ' A' ' 805' ' ' ILE . 35.2 m -65.4 -49.97 67.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -60.23 -41.64 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 -178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.52 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -57.81 -35.88 71.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.721 ' HB2' HG23 ' A' ' 802' ' ' THR . . . -58.13 -45.24 87.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.069 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.44 -31.94 62.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.753 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -66.42 -30.47 70.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -55.58 124.82 18.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . 0.489 HG23 ' HG3' ' A' ' 911' ' ' LYS . 47.1 mm -68.06 126.2 27.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . 0.658 ' HA ' ' H ' ' A' ' 795' ' ' ALA . 24.2 ttmm -110.8 95.82 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.489 ' HG3' HG23 ' A' ' 909' ' ' ILE . 42.5 mtmt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.459 -0.782 . . . . 0.0 109.863 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 74.7 mt -99.57 116.8 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 27.9 t70 -78.48 119.9 79.03 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.081 177.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 6.5 Cg_exo -73.99 174.44 12.37 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 123.214 2.609 . . . . 0.0 113.071 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 80.5 t80 76.48 -34.01 0.22 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.842 0.857 . . . . 0.0 112.664 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 13.6 t -73.18 -11.02 60.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.073 0.463 . . . . 0.0 111.069 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -77.33 117.48 18.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.299 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -92.3 166.56 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.292 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -99.89 149.07 23.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.568 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 23.5 m -92.18 -35.06 14.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.116 0.484 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 102.72 -89.07 0.7 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.762 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 62.22 27.11 16.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.185 0.517 . . . . 0.0 111.047 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -147.57 151.83 24.03 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.68 104.8 0.7 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.63 2.22 . . . . 0.0 112.455 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -109.8 8.18 24.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.726 0.774 . . . . 0.0 110.542 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -158.0 -63.23 0.01 OUTLIER Glycine 0 C--N 1.309 -0.937 0 CA-C-N 114.649 -1.159 . . . . 0.0 112.202 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -178.64 -69.82 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.616 0.246 . . . . 0.0 110.844 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.78 1.79 37.65 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 121.204 -0.198 . . . . 0.0 110.498 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.14 -27.68 67.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -166.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -72.52 -45.68 58.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.305 0.574 . . . . 0.0 109.882 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . 0.583 ' HB2' HD22 ' A' ' 836' ' ' LEU . . . -73.6 -38.89 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.245 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 32.4 p -63.98 -48.36 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.841 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.87 -35.22 66.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.972 0.415 . . . . 0.0 110.071 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.491 ' O ' HG23 ' A' ' 808' ' ' VAL . 47.9 m -59.67 -54.33 47.63 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.126 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.677 HD11 HD12 ' A' ' 836' ' ' LEU . 68.1 mt -58.5 -48.93 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.012 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.436 HD13 ' HG3' ' A' ' 898' ' ' ARG . 1.3 mm? -53.14 -47.63 68.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 38.8 m -68.19 -39.86 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.669 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 804' ' ' THR . 85.3 t -66.11 -40.03 86.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.101 177.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 898' ' ' ARG . 97.0 m -55.54 -55.23 34.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.886 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.96 -25.74 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -71.43 -21.57 61.96 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.406 ' CG2' HD23 ' A' ' 890' ' ' LEU . 2.1 mp -60.7 -39.19 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.29 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -70.44 -27.73 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.4 t -78.17 -25.43 47.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 109.702 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.2 m -83.11 -3.32 57.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.078 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 12.3 mmt -51.44 105.94 0.12 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.07 -30.27 3.55 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.64 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.48 104.15 14.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.545 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.89 -50.82 67.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.494 -173.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.77 79.05 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.891 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.3 -45.88 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.988 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.552 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 87.3 mtp -59.18 -40.0 84.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.7 -36.04 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.687 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.443 ' O ' HG13 ' A' ' 828' ' ' ILE . 22.6 ttp180 -69.51 -47.7 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.347 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.306 0.379 . . . . 0.0 110.891 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.96 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 827' ' ' ARG . 50.7 mtm180 -72.16 -27.5 62.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.5 mt -69.5 -40.35 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.529 HD22 HG23 ' A' ' 805' ' ' ILE . 59.3 mt -59.49 -48.19 82.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.341 174.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.528 ' HA ' HG23 ' A' ' 867' ' ' THR . . . -55.68 -42.29 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -63.36 -50.9 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.998 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.87 -45.18 87.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.344 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.656 HG22 ' HG ' ' A' ' 863' ' ' LEU . 19.6 m -56.46 -38.87 72.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.3 m -65.48 -33.42 75.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.77 -37.33 73.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 110.087 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 805' ' ' ILE . 12.5 mt -70.95 -39.19 72.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.51 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 833' ' ' THR . 74.4 t -55.57 -42.68 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 110.362 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -67.83 -49.17 63.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.494 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.35 -51.73 68.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.884 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.14 -42.65 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.934 0.397 . . . . 0.0 110.709 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 40.7 ttmt -62.17 -44.42 96.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.725 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.262 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.43 -34.23 70.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 0.0 109.843 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.643 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 28.1 mm-40 -66.43 -26.07 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -85.06 -15.64 66.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.299 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -79.83 131.18 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.422 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 21.0 t -86.92 -13.24 45.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.145 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -86.82 118.47 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -41.12 87.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.254 -175.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.58 -47.55 85.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.469 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.691 HD22 HG13 ' A' ' 909' ' ' ILE . 64.2 t30 -66.34 -40.42 89.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.987 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 13.4 p -68.31 -37.76 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.383 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -66.27 -35.73 81.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.39 -41.41 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.073 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.78 -47.57 77.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 853' ' ' SER . 82.8 mt -59.96 -46.12 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.554 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.419 ' O ' HG13 ' A' ' 862' ' ' ILE . 23.1 p -66.72 -41.37 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.99 89.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.79 0.329 . . . . 0.0 110.965 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.94 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.46 -42.11 75.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.606 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 858' ' ' SER . 75.0 mt -59.66 -46.51 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.032 175.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.656 ' HG ' HG22 ' A' ' 833' ' ' THR . 12.0 tp -56.06 -53.1 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.348 177.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.51 59.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.602 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -85.1 -42.41 14.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.349 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.92 64.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.135 0.493 . . . . 0.0 110.166 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.528 HG23 ' HA ' ' A' ' 830' ' ' ALA . 24.8 m -72.49 -45.87 57.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.918 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.45 ' O ' ' HG3' ' A' ' 872' ' ' GLU . . . -57.22 -47.28 81.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.458 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.0 -46.01 89.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.208 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 12.6 tpt -57.82 -50.24 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.345 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.21 -49.28 85.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.558 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 868' ' ' ALA . 77.7 mt-10 -60.83 -34.93 75.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.44 . . . . 0.0 110.791 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 890' ' ' LEU . . . -70.94 -46.95 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.58 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -56.77 -43.93 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -76.02 -39.81 31.74 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.83 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 111.183 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -83.96 -64.89 1.08 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.111 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.53 73.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -107.64 82.81 1.42 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.84 -25.25 53.12 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.65 2.233 . . . . 0.0 112.853 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.8 -25.76 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.685 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -67.01 99.15 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.763 -174.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.17 -37.41 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.717 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 36.3 mm-40 -63.46 -38.92 93.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.26 -35.09 79.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.559 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.54 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 71.2 mm-40 -60.91 -48.43 81.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -64.05 -42.3 97.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.3 mtt180 -56.32 -40.19 73.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.303 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 873' ' ' ALA . 57.4 tp -68.87 -39.54 79.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.071 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.5 mtp180 -57.57 -56.27 24.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.737 0.304 . . . . 0.0 110.954 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.59 -32.31 72.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.417 -178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.86 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.02 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.22 -38.37 90.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.322 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.23 -43.63 88.5 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.741 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -45.32 94.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 109.986 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.436 ' HG3' HD13 ' A' ' 806' ' ' LEU . 61.2 ttp180 -58.77 -49.25 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.365 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 49.2 ttm -60.62 -47.35 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.213 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.52 88.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.978 0.418 . . . . 0.0 110.888 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 805' ' ' ILE . 26.5 m -67.39 -43.3 81.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.91 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -60.89 -39.85 90.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.373 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.92 -45.14 83.0 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.698 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.4 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.66 98.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -75.66 -25.07 56.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.36 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -79.65 -6.7 57.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.596 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -58.6 111.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . 0.691 HG13 HD22 ' A' ' 852' ' ' ASN . 50.5 mm -82.56 133.36 29.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.655 -177.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . 0.666 ' HZ1' ' HB3' ' A' ' 910' ' ' LYS . 8.0 mtpm? -91.25 117.24 29.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.013 0.435 . . . . 0.0 110.328 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.623 ' HA ' ' HE3' ' A' ' 911' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.411 176.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 37.7 pt -121.27 144.25 30.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.643 0.258 . . . . 0.0 110.442 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -95.67 155.53 38.43 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.373 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.92 7.79 3.44 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.866 2.377 . . . . 0.0 111.307 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 66.19 -174.3 0.19 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.019 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 37.1 m -83.62 95.07 8.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.139 0.495 . . . . 0.0 110.423 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -151.6 167.57 27.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.069 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -80.82 104.79 11.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.951 0.405 . . . . 0.0 110.033 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -86.99 133.87 33.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.778 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 8.2 m -78.43 82.6 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -171.84 33.63 0.14 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.938 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -104.44 144.08 32.15 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.657 0.265 . . . . 0.0 110.353 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -75.53 -171.99 31.12 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.614 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.24 -176.1 2.29 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.022 2.481 . . . . 0.0 111.666 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -78.06 78.1 4.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.353 0.597 . . . . 0.0 110.014 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -109.63 -142.05 9.42 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.69 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.549 ' HG3' ' HB1' ' A' ' 908' ' ' ALA . 16.8 tpp180 50.12 74.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.001 0.471 . . . . 0.0 109.8 -173.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 908' ' ' ALA . 88.3 m-85 73.41 -35.3 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.779 -1.1 . . . . 0.0 113.224 178.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.49 -31.87 72.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.009 0.368 . . . . 0.0 111.362 -172.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -68.97 -38.25 79.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.942 0.401 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.77 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.198 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.767 HG21 ' HB2' ' A' ' 905' ' ' ALA . 43.7 p -67.11 -36.26 81.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.315 -176.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -50.18 -43.97 52.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 111.204 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 808' ' ' VAL . 61.1 m -62.12 -51.3 68.47 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.639 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.857 HD13 HD11 ' A' ' 836' ' ' LEU . 69.2 mt -63.56 -49.06 84.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.919 -176.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' A' ' 902' ' ' ASN . 1.1 mm? -52.46 -44.82 65.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.9 m -74.92 -46.66 34.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -176.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 70.8 t -60.44 -33.94 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.581 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.428 HG22 ' HB2' ' A' ' 898' ' ' ARG . 55.3 m -53.82 -52.0 61.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.021 0.439 . . . . 0.0 111.205 176.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -64.51 -25.25 67.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 94.4 m-20 -64.62 -24.13 67.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.716 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.33 -36.67 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.423 ' HZ ' ' HB1' ' A' ' 894' ' ' ALA . 98.8 m-85 -73.24 -33.54 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 35.8 t -71.71 -36.81 70.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.272 0.558 . . . . 0.0 110.2 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.4 m -83.58 -2.85 56.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.573 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.3 ttm -54.49 114.58 1.72 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.226 0.536 . . . . 0.0 111.239 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.89 -27.71 3.82 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.231 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -104.23 117.64 34.73 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.694 ' HA ' ' HB2' ' A' ' 878' ' ' ALA . . . -63.95 -58.61 6.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.771 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.4 62.99 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 113.457 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -66.8 -47.31 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.771 0.285 . . . . 0.0 111.038 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.573 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.0 mtp -59.29 -42.97 92.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.051 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 875' ' ' LYS . 88.0 t -65.63 -40.79 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 178.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.453 ' O ' HG13 ' A' ' 828' ' ' ILE . 8.9 tpt180 -60.81 -45.49 94.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.433 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.7 -40.64 97.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.06 83.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.147 0.499 . . . . 0.0 110.956 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 80.0 mtp180 -68.96 -35.49 76.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.484 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.8 mt -65.1 -38.24 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.906 175.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.416 HD23 HG22 ' A' ' 805' ' ' ILE . 37.9 mt -59.17 -47.55 84.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.78 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -61.13 -50.33 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.553 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.52 94.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.446 HG22 ' OG1' ' A' ' 867' ' ' THR . 89.0 m -62.6 -35.53 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.57 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 24.2 t -63.6 -48.9 75.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.053 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.58 -32.57 73.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.857 HD11 HD13 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -67.34 -51.13 56.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.59 176.136 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.608 HG13 ' HB2' ' A' ' 860' ' ' ALA . 71.1 t -56.54 -42.2 75.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.912 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.171 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.45 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.39 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 836' ' ' LEU . 83.8 mt -58.35 -51.98 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.94 -42.72 94.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.434 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.9 85.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.972 -177.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.69 -34.54 60.42 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.69 87.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.286 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.97 -23.88 62.3 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.829 0.347 . . . . 0.0 110.21 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -79.25 -24.76 60.62 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.59 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.11 135.61 52.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 63.1 m -85.62 -18.81 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.031 0.443 . . . . 0.0 110.624 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.403 ' OD2' ' HB2' ' A' ' 851' ' ' GLU . 4.7 t70 -86.83 102.46 14.32 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -33.98 69.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -175.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.403 ' HB2' ' OD2' ' A' ' 849' ' ' ASP . 2.0 mp0 -58.58 -51.74 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.432 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -65.04 -37.59 88.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.137 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 56.9 m -57.2 -48.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 854' ' ' ARG . 62.4 mtt180 -62.03 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.074 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.3 -45.1 88.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.499 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 909' ' ' ILE . 96.1 mt -64.07 -49.78 70.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.643 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.2 mt -56.13 -40.49 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 39.0 m -67.81 -39.64 83.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.37 -31.46 72.63 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.608 ' HB2' HG13 ' A' ' 837' ' ' VAL . . . -63.37 -43.94 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 11.2 tmtt? -64.55 -43.06 95.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.648 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.58 -48.69 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.08 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.477 ' HA ' ' HB2' ' A' ' 900' ' ' ALA . 7.2 tp -63.24 -57.89 8.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.7 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . 0.606 ' HB3' HG21 ' A' ' 837' ' ' VAL . . . -57.1 -23.6 48.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.301 0.572 . . . . 0.0 111.078 -176.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.7 OUTLIER -80.36 -35.77 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.41 -177.239 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.92 67.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.446 ' OG1' HG22 ' A' ' 833' ' ' THR . 3.0 m -66.04 -44.19 85.34 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.192 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.19 80.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.71 0.291 . . . . 0.0 111.124 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -67.04 -43.99 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.449 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.57 ' HA ' ' HB3' ' A' ' 893' ' ' ALA . 10.5 tpt -57.56 -50.0 74.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.085 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 52.8 t -60.75 -48.66 87.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.249 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.32 -37.45 87.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 111.431 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.9 -48.43 68.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.466 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.37 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.616 ' HA ' HG22 ' A' ' 823' ' ' VAL . 53.3 mtpt -56.92 -48.86 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.289 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -73.28 -40.33 49.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.834 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.88 -25.86 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.06 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.694 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . . . -78.16 -58.06 3.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.547 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.535 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.69 -36.91 72.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.063 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -106.71 82.75 1.09 Allowed Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.4 Cg_exo -63.96 -51.16 2.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.096 2.531 . . . . 0.0 113.56 -166.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.53 -8.06 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.094 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.409 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 47.6 m -70.99 104.58 3.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.449 . . . . 0.0 111.218 -177.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.5 -28.81 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.072 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' A' ' 885' ' ' GLU . 14.0 mp0 -60.94 -40.09 91.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.263 0.554 . . . . 0.0 109.779 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 15.1 mm100 -73.13 -38.79 66.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.917 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.0 mm-40 -64.14 -37.37 87.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.842 0.353 . . . . 0.0 110.164 178.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.75 -49.02 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.92 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -64.93 -43.63 92.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.94 -41.54 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 891' ' ' ARG . 38.5 mtm180 -58.63 -38.2 77.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.54 0.21 . . . . 0.0 111.277 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.71 -47.84 36.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.854 0.359 . . . . 0.0 110.645 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -59.9 -44.31 94.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.82 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . 0.423 ' HB1' ' HZ ' ' A' ' 813' ' ' PHE . . . -68.08 -46.91 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.398 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -64.09 -33.44 75.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.678 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.65 -47.27 69.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.802 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.3 -44.48 97.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.243 0.544 . . . . 0.0 109.617 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.428 ' HB2' HG22 ' A' ' 809' ' ' THR . 77.4 ttt180 -53.88 -47.85 70.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.271 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.5 ttp -65.9 -48.94 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.997 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . 0.477 ' HB2' ' HA ' ' A' ' 863' ' ' LEU . . . -58.95 -40.23 84.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.82 0.343 . . . . 0.0 111.247 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.537 HG21 ' HB ' ' A' ' 805' ' ' ILE . 79.8 m -65.34 -54.5 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 177.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.632 ' HB2' HD13 ' A' ' 806' ' ' LEU . 56.7 t30 -61.68 -35.12 77.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.704 -177.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.17 83.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.8 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.36 0.6 . . . . 0.0 109.472 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.767 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -68.4 -26.72 65.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.065 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 28.8 mm-40 -77.13 -25.1 51.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.107 0.479 . . . . 0.0 110.363 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -77.65 -5.25 49.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.549 ' HB1' ' HG3' ' A' ' 797' ' ' ARG . . . -51.69 128.75 24.36 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.353 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . 0.821 HD11 HD12 ' A' ' 856' ' ' LEU . 2.5 mp -58.2 106.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.326 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -170.55 74.57 0.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.1 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.401 -178.288 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 32.0 pt -92.46 163.61 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 21.6 t70 61.12 93.2 0.06 OUTLIER Pre-proline 0 N--CA 1.467 0.397 0 O-C-N 123.848 0.717 . . . . 0.0 111.46 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -77.75 100.41 1.38 Allowed 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.812 2.341 . . . . 0.0 111.272 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -88.47 105.72 17.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.181 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 24.0 m 62.99 86.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.838 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -141.01 147.57 38.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -94.73 136.16 35.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.789 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 59.95 88.0 0.08 Allowed 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.878 0.736 . . . . 0.0 110.607 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.3 m -132.89 137.29 46.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.694 -175.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -118.49 47.22 1.05 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.663 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -87.88 69.16 9.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.442 0.639 . . . . 0.0 110.952 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -156.58 135.02 4.28 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.884 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.28 134.31 41.55 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.757 2.305 . . . . 0.0 111.885 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -122.36 136.92 54.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.907 0.384 . . . . 0.0 111.116 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' A' ' 799' ' ' ASP . . . -95.26 -88.12 1.74 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -163.68 10.4 0.05 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.77 6.85 3.74 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.584 0.707 . . . . 0.0 109.103 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 796' ' ' GLY . 1.1 m-20 -68.22 -35.15 77.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.486 -166.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . 0.813 ' HA ' HE21 ' A' ' 800' ' ' GLN . 0.0 OUTLIER -68.9 -43.24 75.65 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.29 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.44 74.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.88 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.5 p -66.03 -38.9 89.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.752 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -56.89 -46.15 82.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 808' ' ' VAL . 31.8 m -60.3 -56.11 25.47 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.643 ' HB ' HG22 ' A' ' 901' ' ' THR . 84.3 mt -57.61 -49.27 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.203 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.37 -42.85 74.52 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 33.3 m -74.81 -39.84 61.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.584 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 804' ' ' THR . 80.5 t -67.92 -37.79 78.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.253 -0.28 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.923 HG23 ' HB2' ' A' ' 898' ' ' ARG . 87.3 m -52.96 -52.99 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.39 -24.67 67.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.124 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 93.7 m-20 -67.34 -28.62 68.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.043 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.466 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.6 mp -57.88 -38.29 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 110.432 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -72.81 -28.61 62.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 15.3 m -78.35 -36.81 45.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.154 0.502 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 55.0 m -82.32 -3.54 55.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.165 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.613 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -56.46 111.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.3 0.571 . . . . 0.0 110.347 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 134.47 -30.78 2.85 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.982 -174.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -108.18 116.33 31.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.798 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.26 -51.72 62.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.3 -173.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -50.72 -53.76 24.41 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.76 -0.654 . . . . 0.0 113.471 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 39.3 tt0 -69.57 -35.34 75.28 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.134 0.467 . . . . 0.0 111.657 -176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.613 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.2 mtp -60.48 -45.63 93.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.897 0.379 . . . . 0.0 110.573 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.607 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.5 t -65.71 -40.01 86.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.948 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.474 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.3 ttm180 -53.56 -50.38 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 81.4 mm-40 -61.54 -46.36 90.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.64 -39.76 77.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.823 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.607 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 43.1 mtm180 -62.43 -39.26 92.74 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.77 0.319 . . . . 0.0 110.317 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 824' ' ' ARG . 70.2 mt -61.75 -42.0 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.924 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.546 HD23 HG22 ' A' ' 805' ' ' ILE . 83.2 mt -61.48 -49.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.874 177.343 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.29 72.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.023 0.439 . . . . 0.0 110.666 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.48 -49.09 62.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.87 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.43 92.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.395 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.613 HG23 ' HG ' ' A' ' 863' ' ' LEU . 26.0 m -58.95 -39.91 83.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.32 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 74.4 m -61.18 -35.43 77.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.551 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.47 -48.02 79.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.424 HD11 HD11 ' A' ' 805' ' ' ILE . 16.6 mt -64.85 -44.23 90.45 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.877 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.528 HG22 ' O ' ' A' ' 833' ' ' THR . 71.0 t -53.34 -49.21 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.639 0.257 . . . . 0.0 111.008 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -67.34 -44.73 78.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.849 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.32 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.431 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.32 -46.43 94.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.348 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 56.8 mttm -58.75 -49.52 77.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 111.218 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . 0.527 ' HA ' ' OE1' ' A' ' 845' ' ' GLU . . . -69.11 -34.84 75.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.334 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.932 0.396 . . . . 0.0 110.434 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.08 -23.46 67.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.998 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.527 ' OE1' ' HA ' ' A' ' 842' ' ' ALA . 44.3 mt-10 -72.22 -24.99 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.278 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -95.55 -26.7 11.52 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.3 126.31 27.15 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.0 m -84.16 -30.69 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 111.245 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.75 101.45 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.81 -39.06 73.45 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.359 0.412 . . . . 0.0 111.952 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.4 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.945 0.403 . . . . 0.0 110.12 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.425 ' HA ' ' HE2' ' A' ' 855' ' ' LYS . 58.0 t30 -70.78 -36.36 73.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.731 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 m -58.8 -50.06 75.37 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.117 0.484 . . . . 0.0 110.092 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.69 -45.76 92.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.677 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 852' ' ' ASN . 37.5 ttpt -57.34 -42.01 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.834 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.08 -53.01 62.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.705 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.22 -44.75 94.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.405 ' O ' HG13 ' A' ' 862' ' ' ILE . 49.2 m -61.5 -41.79 97.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.54 79.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.15 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 861' ' ' LYS . 0.3 OUTLIER -66.25 -45.17 81.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.771 178.822 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 858' ' ' SER . 82.5 mt -57.8 -47.24 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.331 177.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.613 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -58.21 -56.49 21.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.356 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.81 -30.68 61.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.435 -176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.14 -39.65 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.701 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.82 71.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.253 0.549 . . . . 0.0 109.631 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.442 ' OG1' HG22 ' A' ' 833' ' ' THR . 24.0 m -67.32 -49.55 63.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.841 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.16 -50.18 71.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.4 -45.26 94.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.666 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 13.2 ttt -64.86 -49.46 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.635 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.579 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 50.2 t -54.88 -48.09 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.215 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.43 ' HA ' ' HE3' ' A' ' 875' ' ' LYS . 33.3 mt-10 -64.85 -40.67 95.54 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.745 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.06 88.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.709 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.56 89.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.698 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.585 ' HA ' HG21 ' A' ' 823' ' ' VAL . 10.1 mtmp? -59.27 -43.78 92.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.943 0.401 . . . . 0.0 110.628 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.42 -42.65 64.18 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.443 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.565 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -66.36 -31.69 72.62 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.153 0.501 . . . . 0.0 110.988 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.798 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -70.96 -58.99 3.04 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.602 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.535 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -68.35 -28.53 67.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.605 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -104.86 87.22 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 25.4 Cg_exo -61.58 -54.35 1.72 Allowed 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.104 2.536 . . . . 0.0 113.207 -166.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.01 -17.42 59.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.966 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.6 t -57.86 102.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 111.696 -171.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.115 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.93 -50.16 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.156 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 14.2 mm100 -58.22 -44.19 88.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.782 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.57 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 72.3 mm-40 -62.82 -47.57 82.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.384 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.176 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -59.94 -45.09 93.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.425 177.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.466 HD21 ' CG2' ' A' ' 812' ' ' ILE . 59.8 tp -65.72 -40.79 92.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.475 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 71.3 mtt180 -53.13 -49.05 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.571 -178.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.22 -32.19 38.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.723 0.297 . . . . 0.0 111.098 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.06 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . 0.666 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -63.84 -40.2 96.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.094 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.8 -36.2 79.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -65.8 -42.05 95.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.282 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.89 -49.66 71.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 110.491 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.923 ' HB2' HG23 ' A' ' 809' ' ' THR . 12.8 ttp180 -61.03 -41.49 96.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 51.7 ttm -67.33 -42.7 83.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.643 HG22 ' HB ' ' A' ' 805' ' ' ILE . 37.0 m -67.08 -41.45 86.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.15 -33.09 72.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.972 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 906' ' ' GLN . . . -65.78 -44.28 86.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.658 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.36 73.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.115 0.483 . . . . 0.0 110.293 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.32 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.233 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . 0.615 ' HA ' ' HG3' ' A' ' 910' ' ' LYS . 3.4 pt20 -74.26 -21.86 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.271 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -77.43 -6.19 52.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.398 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -78.86 42.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.58 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 69.4 mt 52.62 81.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.76 0.791 . . . . 0.0 110.847 -174.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . 0.615 ' HG3' ' HA ' ' A' ' 906' ' ' GLN . 74.1 mmtt -122.2 87.99 2.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.369 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.881 -178.23 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 6.4 tp -130.59 129.09 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.203 0.525 . . . . 0.0 110.314 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -88.2 130.04 47.55 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.481 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.89 126.06 17.29 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.932 2.422 . . . . 0.0 112.05 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -67.28 -26.38 66.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.06 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.6 p -79.72 -51.53 9.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.005 0.431 . . . . 0.0 110.335 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 72.71 153.29 0.13 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.564 -1.198 . . . . 0.0 112.38 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -98.71 9.11 44.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.584 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -87.91 141.63 28.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.784 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.0 t -134.74 85.65 2.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.04 0.924 . . . . 0.0 111.065 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -143.39 54.22 0.59 Allowed Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.893 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -107.6 -0.09 22.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.308 . . . . 0.0 111.04 -174.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -76.06 152.87 42.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.884 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -61.27 135.31 57.23 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.601 2.2 . . . . 0.0 112.028 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -144.77 154.6 42.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.149 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -76.57 -109.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.338 174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.524 ' NH2' ' HB ' ' A' ' 909' ' ' ILE . 64.3 mtt180 -124.38 -62.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.153 0.502 . . . . 0.0 110.079 173.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 4.3 m-85 -122.35 13.37 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.071 -177.301 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.37 -39.31 89.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.136 -166.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -64.27 -50.19 68.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.79 0.328 . . . . 0.0 111.041 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -74.24 -36.53 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.662 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 17.7 p -64.1 -42.62 96.83 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.592 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.58 -43.28 71.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.159 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 808' ' ' VAL . 31.2 m -57.1 -53.0 63.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.711 HG23 HD22 ' A' ' 829' ' ' LEU . 68.9 mt -62.71 -49.98 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.581 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.437 HD13 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -53.86 -42.48 68.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.588 0.233 . . . . 0.0 111.41 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 50.3 m -71.25 -50.52 31.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.303 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 804' ' ' THR . 90.2 t -60.61 -36.0 67.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.34 -176.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 99.8 m -54.76 -45.26 74.19 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 5.0 mm-40 -63.13 -25.72 68.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.954 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.578 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.456 HG13 ' CB ' ' A' ' 825' ' ' GLN . 3.7 mp -67.21 -44.66 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.564 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.44 -31.07 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 23.2 t -72.63 -39.68 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.172 0.51 . . . . 0.0 110.088 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -83.16 -5.98 59.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.611 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 48.1 ttm -54.01 121.38 7.93 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 128.69 -22.28 5.22 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -174.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.79 116.11 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.569 ' HA ' ' HB3' ' A' ' 878' ' ' ALA . . . -64.42 -50.72 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.955 -173.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.6 94.02 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.255 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -67.54 -44.25 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 111.588 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.611 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 85.1 mtp -60.57 -39.93 89.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.674 -175.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.48 HG21 ' HA ' ' A' ' 875' ' ' LYS . 69.2 t -66.67 -37.3 79.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.44 178.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -61.25 -46.31 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.692 177.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.456 ' CB ' HG13 ' A' ' 812' ' ' ILE . 15.0 mm100 -59.18 -40.06 84.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.182 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 871' ' ' VAL . . . -64.7 -37.82 88.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.028 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -61.98 -36.8 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.92 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.11 -43.65 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.465 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.711 HD22 HG23 ' A' ' 805' ' ' ILE . 47.6 mt -61.36 -45.87 92.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.737 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.415 ' HB3' HG21 ' A' ' 871' ' ' VAL . . . -56.67 -40.08 74.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.42 -49.22 67.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.563 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.01 91.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.894 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.669 HG23 ' HG ' ' A' ' 863' ' ' LEU . 46.4 m -58.56 -36.44 73.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.242 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.0 m -59.71 -35.98 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.134 -175.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.83 -39.07 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.471 HD12 HD11 ' A' ' 805' ' ' ILE . 13.3 mt -65.66 -41.6 92.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' ' 833' ' ' THR . 93.8 t -53.38 -40.89 42.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -74.21 -43.53 56.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.923 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.87 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.543 ' HA ' ' CE1' ' A' ' 798' ' ' TYR . 75.8 mt -59.57 -44.87 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.453 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 64.1 mttm -58.93 -46.53 87.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.993 0.425 . . . . 0.0 110.823 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.553 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . 0.405 ' OD2' ' HD3' ' A' ' 797' ' ' ARG . 36.9 t70 -74.4 -30.29 61.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.789 0.328 . . . . 0.0 110.362 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.32 80.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 175.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.6 mt-10 -75.16 -15.94 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -90.57 -7.19 67.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.575 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -83.91 140.89 31.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.318 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 23.3 t -90.72 -19.67 23.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.246 0.546 . . . . 0.0 110.185 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 108.08 20.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.85 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 853' ' ' SER . 4.7 mp -63.0 -29.5 70.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -178.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.22 -39.61 79.51 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.445 0.64 . . . . 0.0 109.528 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.959 HD22 HD12 ' A' ' 909' ' ' ILE . 66.9 t30 -80.29 -42.42 23.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.725 176.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 850' ' ' LEU . 47.3 m -55.6 -49.5 72.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.192 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -68.59 -29.13 67.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.695 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.98 -36.96 75.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.936 177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.414 ' CD2' ' HB3' ' A' ' 907' ' ' ASN . 92.8 mt -68.33 -47.82 66.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.345 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.06 -49.31 76.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.271 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.424 ' O ' HG13 ' A' ' 862' ' ' ILE . 18.8 p -63.11 -39.33 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.15 93.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.99 98.69 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -67.74 -39.03 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.676 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 858' ' ' SER . 84.5 mt -63.65 -47.01 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.994 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.1 tp -56.35 -57.42 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.801 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -53.51 -35.29 60.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -83.8 -38.5 21.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.743 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.51 67.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.41 ' OG1' HG22 ' A' ' 833' ' ' THR . 24.4 m -72.06 -49.82 33.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.69 82.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.409 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -53.97 -50.31 66.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.641 173.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.607 ' HA ' ' HB2' ' A' ' 893' ' ' ALA . 0.3 OUTLIER -60.31 -54.5 44.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.105 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.484 HG11 ' HE3' ' A' ' 875' ' ' LYS . 74.2 t -57.3 -41.9 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.945 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.49 -36.86 79.52 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.97 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.415 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.15 95.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.567 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.484 ' HE3' HG11 ' A' ' 871' ' ' VAL . 94.0 mttt -57.48 -50.79 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.66 -45.3 93.27 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.515 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.179 0.514 . . . . 0.0 111.151 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.569 ' HB3' ' HA ' ' A' ' 819' ' ' ALA . . . -76.84 -65.3 0.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.909 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.95 -31.03 72.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.765 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -106.44 83.69 1.25 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.9 -40.29 21.75 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.6 2.2 . . . . 0.0 112.655 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -76.6 -9.74 58.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.359 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 35.6 t -79.66 98.26 6.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.406 . . . . 0.0 110.751 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.01 -25.95 66.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.352 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 45.5 mt-10 -60.38 -50.04 75.19 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -64.24 -33.59 76.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.968 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 883' ' ' SER . 72.5 mm-40 -62.34 -48.78 78.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.096 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.521 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 53.7 tp60 -63.73 -42.17 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.611 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.1 mtt180 -59.06 -39.81 83.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.431 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 47.2 tp -65.28 -39.78 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.466 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 96.9 mtt180 -58.42 -51.18 70.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 36.2 mt-10 -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.429 0.633 . . . . 0.0 110.532 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . 0.607 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -67.26 -45.47 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.932 -175.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.48 76.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.123 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.65 -36.3 75.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.264 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.68 93.5 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.462 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.64 -47.65 82.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.35 -47.16 86.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.079 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.0 ttp -58.36 -50.11 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.777 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.49 90.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.382 . . . . 0.0 111.265 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.672 HG21 ' HB ' ' A' ' 805' ' ' ILE . 44.0 m -66.0 -46.57 77.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.437 ' HB2' HD13 ' A' ' 806' ' ' LEU . 57.0 t30 -66.95 -30.83 71.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.054 0.454 . . . . 0.0 109.947 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . 0.561 ' O ' ' HG2' ' A' ' 906' ' ' GLN . . . -66.26 -44.14 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.981 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.33 73.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.084 0.468 . . . . 0.0 110.279 174.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.1 84.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.173 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 903' ' ' ALA . 2.7 pt20 -78.16 -23.26 47.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.642 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 856' ' ' LEU . 3.6 m-80 -69.23 -16.08 63.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.898 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -71.4 108.89 5.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.187 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . 0.959 HD12 HD22 ' A' ' 852' ' ' ASN . 2.9 mp -61.32 131.71 26.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.755 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -147.58 100.56 3.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.611 -175.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 55.8 pttt . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.616 -177.391 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 29.4 pt -102.49 37.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.116 0.484 . . . . 0.0 109.877 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.62 113.82 4.47 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.485 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -94.02 70.73 0.35 Allowed 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 123.305 2.67 . . . . 0.0 111.143 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.11 102.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.606 -172.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.3 m 60.5 40.19 17.31 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.852 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -62.87 118.91 8.41 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.118 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -120.78 127.17 51.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.924 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 53.27 71.83 0.47 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.555 0.535 . . . . 0.0 110.874 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' THR . . . . . 0.731 HG22 ' HA ' ' A' ' 795' ' ' ALA . 7.6 t -106.59 2.08 25.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.633 -175.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 134.92 -26.73 3.25 Favored Glycine 0 CA--C 1.511 -0.2 0 C-N-CA 120.512 -0.852 . . . . 0.0 111.765 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -138.72 30.1 2.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.292 0.567 . . . . 0.0 109.602 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 84.49 -118.44 4.72 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 -170.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.601 ' HB3' ' HG3' ' A' ' 800' ' ' GLN . 25.6 Cg_exo -63.74 164.28 21.92 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.496 2.131 . . . . 0.0 111.081 172.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.731 ' HA ' HG22 ' A' ' 790' ' ' THR . . . -64.33 127.95 33.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . 0.517 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . 59.46 -133.46 51.91 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.572 174.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.508 ' HB2' HG13 ' A' ' 909' ' ' ILE . 30.9 ttm180 -118.3 -50.92 2.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.978 0.418 . . . . 0.0 110.094 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.502 ' HB3' HD11 ' A' ' 836' ' ' LEU . 16.5 m-85 -118.03 7.22 12.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . 0.517 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 2.6 m-20 -67.71 -29.04 68.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.966 -166.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . 0.601 ' HG3' ' HB3' ' A' ' 794' ' ' PRO . 15.1 mm100 -71.77 -48.67 45.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.02 89.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.038 -177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 21.3 p -67.67 -43.27 80.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.367 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.15 -43.46 61.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.768 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.428 ' O ' HG22 ' A' ' 808' ' ' VAL . 29.7 m -55.31 -54.11 47.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.35 175.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.601 ' HB ' HG23 ' A' ' 901' ' ' THR . 91.1 mt -61.69 -50.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.46 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 806' ' ' LEU . 1.3 mm? -55.7 -38.63 69.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.645 0.259 . . . . 0.0 111.35 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 32.7 m -76.28 -46.39 28.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.483 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.647 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 89.1 t -64.52 -27.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.549 0.214 . . . . 0.0 110.999 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.433 HG21 ' HB2' ' A' ' 898' ' ' ARG . 54.8 m -52.88 -51.28 61.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 807' ' ' THR . 12.7 pt-20 -67.77 -24.4 65.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.608 0.242 . . . . 0.0 110.815 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.647 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.2 m-20 -58.41 -33.64 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.625 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.501 HG22 HD11 ' A' ' 890' ' ' LEU . 3.4 mp -60.82 -37.26 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -75.06 -30.14 60.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.412 . . . . 0.0 110.329 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.4 t -72.33 -45.44 59.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.4 m -81.61 -2.87 51.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.373 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.593 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 47.3 ttm -50.28 115.68 1.54 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.259 0.552 . . . . 0.0 110.633 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.09 -41.3 1.52 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.7 112.02 23.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.765 ' HA ' ' HB2' ' A' ' 878' ' ' ALA . . . -64.14 -51.25 64.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.651 -173.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.71 90.87 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.87 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -67.36 -39.29 85.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.751 0.275 . . . . 0.0 111.031 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.593 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.6 mtp -61.57 -47.85 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.622 177.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.59 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 75.9 t -65.68 -35.34 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 828' ' ' ILE . 18.5 tpt180 -55.83 -48.7 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 177.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.67 -41.69 98.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.15 81.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.226 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 85.8 mtt-85 -62.84 -42.19 99.64 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.694 0.283 . . . . 0.0 110.351 177.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.8 mt -59.91 -44.73 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.566 HD22 HG21 ' A' ' 805' ' ' ILE . 57.2 mt -60.05 -47.26 86.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.95 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.548 ' HB1' HG23 ' A' ' 871' ' ' VAL . . . -58.25 -51.89 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -58.91 -48.21 82.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.786 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.62 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.026 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.493 HG23 ' OG1' ' A' ' 867' ' ' THR . 98.4 m -62.91 -40.36 97.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.639 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.2 m -59.34 -45.53 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 110.391 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.64 -36.42 78.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.482 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.502 HD11 ' HB3' ' A' ' 798' ' ' TYR . 27.8 tp -68.39 -42.77 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 833' ' ' THR . 56.2 t -55.89 -49.1 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.321 . . . . 0.0 110.612 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.04 -46.12 90.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.281 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.68 72.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.49 -48.79 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.179 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 45.8 mtpt -68.86 -39.15 80.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.757 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.61 79.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 0.0 110.493 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . 0.484 ' OD2' ' HD3' ' A' ' 797' ' ' ARG . 33.0 t70 -69.62 -32.14 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.155 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.94 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.982 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 53.0 mt-10 -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.56 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.0 -20.21 53.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.785 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.87 122.72 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.702 0.401 . . . . 0.0 110.594 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 57.0 p -79.91 -14.02 58.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.696 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.479 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 7.8 t70 -86.83 95.38 9.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.622 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -57.44 -38.71 74.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.355 0.409 . . . . 0.0 110.906 -173.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.04 -39.8 87.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.021 0.439 . . . . 0.0 110.774 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.479 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.2 t30 -72.71 -32.98 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.0 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 50.6 m -60.13 -40.57 90.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.502 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.622 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 85.9 mtt-85 -60.64 -40.33 91.59 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.189 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -64.73 -41.74 95.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.609 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 94.2 mt -65.35 -48.97 71.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.47 -46.13 87.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.412 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 14.1 p -69.43 -36.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.37 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.784 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.24 86.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.671 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . 0.719 ' HZ1' ' HB3' ' A' ' 861' ' ' LYS . 4.6 mmmp? -63.49 -52.81 59.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.366 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.21 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.93 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.483 ' HG ' HG21 ' A' ' 833' ' ' THR . 10.0 tp -61.87 -57.19 12.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.59 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.39 -30.02 50.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 0.0 111.705 -174.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.97 -35.51 25.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.51 -33.0 74.62 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.493 ' OG1' HG23 ' A' ' 833' ' ' THR . 5.7 m -69.73 -43.54 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.96 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 110.522 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . 0.457 ' HB3' ' HE2' ' A' ' 869' ' ' LYS . 8.2 mmmm -64.15 -53.66 45.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.276 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 11.3 tpt -55.5 -53.6 54.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.332 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.548 HG23 ' HB1' ' A' ' 830' ' ' ALA . 40.0 t -59.15 -50.1 81.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.899 -175.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.47 -31.51 69.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.722 0.296 . . . . 0.0 111.369 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.51 75.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.7 -47.57 85.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.966 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.533 ' HA ' HG21 ' A' ' 823' ' ' VAL . 29.4 mtpp -55.67 -48.97 74.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.781 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.01 92.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.97 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -71.0 -27.93 64.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.223 0.535 . . . . 0.0 111.229 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.765 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . . . -80.14 -60.69 2.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.881 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.519 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.8 -35.0 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.073 -175.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -106.59 84.21 1.42 Allowed Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 24.4 Cg_exo -62.46 -38.26 53.78 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.964 2.442 . . . . 0.0 112.752 -168.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.32 -14.33 59.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.797 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.586 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -68.4 105.04 2.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.078 0.466 . . . . 0.0 111.477 -172.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -67.01 -32.1 73.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.998 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.47 -41.65 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.187 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 883' ' ' SER . 14.4 mm100 -67.53 -38.05 83.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 883' ' ' SER . 80.6 mm-40 -59.51 -45.58 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -57.42 -50.24 73.65 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.753 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -54.4 -46.38 73.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.399 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.501 HD11 HG22 ' A' ' 812' ' ' ILE . 58.7 tp -62.48 -48.45 79.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.373 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 67.3 mtt180 -58.54 -41.24 85.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 111.07 -179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.82 -47.36 53.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.95 88.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.112 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.69 84.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.639 0.257 . . . . 0.0 111.144 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.72 -36.64 67.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.3 -44.85 96.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.468 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.433 ' HB2' HG21 ' A' ' 809' ' ' THR . 46.8 ttp180 -55.97 -50.11 71.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.222 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 50.0 ttp -59.52 -50.12 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.48 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.6 -45.54 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.98 -178.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.601 HG23 ' HB ' ' A' ' 805' ' ' ILE . 24.4 m -66.5 -45.0 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.93 -39.26 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.672 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . 0.518 ' HA ' HE21 ' A' ' 906' ' ' GLN . . . -64.56 -44.27 91.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.53 78.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.293 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.088 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . 0.518 HE21 ' HA ' ' A' ' 903' ' ' ALA . 50.0 mt-30 -72.94 -25.72 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.927 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -86.17 -6.98 58.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.606 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.522 ' O ' ' HB ' ' A' ' 909' ' ' ILE . . . -74.37 109.26 7.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.407 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' A' ' 908' ' ' ALA . 14.0 mt 72.95 147.68 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 123.604 0.565 . . . . 0.0 111.111 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -77.16 73.52 3.74 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 111.445 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 52.3 mttp . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.401 175.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.396 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 45.0 mm -104.19 114.8 44.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -80.53 132.38 58.67 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.39 116.22 3.18 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.636 2.224 . . . . 0.0 112.098 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -94.09 83.18 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.52 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 26.0 m 56.89 94.9 0.02 OUTLIER 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.043 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -77.66 106.09 9.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -98.14 -69.01 0.78 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.93 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -154.25 86.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.149 0.499 . . . . 0.0 111.009 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 2.0 p -134.53 117.86 16.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.316 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 111.21 10.45 20.24 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -136.67 171.49 14.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.414 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -79.86 155.08 38.44 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.984 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.13 117.3 4.96 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.728 2.286 . . . . 0.0 111.393 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -83.01 138.03 33.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . 0.421 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . -81.27 -112.33 0.34 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.759 177.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.408 ' HD3' ' OD2' ' A' ' 843' ' ' ASP . 41.2 ttm180 -140.57 -58.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.677 0.275 . . . . 0.0 110.918 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.429 ' HB3' HD22 ' A' ' 836' ' ' LEU . 17.1 m-85 -100.57 14.36 31.6 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . 0.421 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 0.9 OUTLIER -67.16 -33.66 75.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.109 -164.814 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.96 -46.79 56.13 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.555 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.58 83.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.415 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 34.2 p -64.34 -45.24 88.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.685 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.33 -42.04 69.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.61 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 808' ' ' VAL . 92.6 m -58.87 -54.57 45.58 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.283 176.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.666 ' HB ' HG21 ' A' ' 901' ' ' THR . 65.1 mt -60.77 -50.68 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.504 -177.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.08 -52.43 43.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.723 0.297 . . . . 0.0 110.925 178.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 47.1 m -65.33 -47.61 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.661 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 804' ' ' THR . 92.8 t -62.82 -34.79 67.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.839 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.57 HG22 ' HB2' ' A' ' 898' ' ' ARG . 90.0 m -55.6 -48.79 74.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -58.31 -31.47 67.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.112 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.16 -21.78 63.04 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.927 -174.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.439 HD13 ' O ' ' A' ' 808' ' ' VAL . 2.8 mp -63.23 -41.53 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.801 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -71.88 -27.82 63.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.9 m -75.11 -32.39 61.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.237 0.541 . . . . 0.0 110.337 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 35.4 m -82.81 -3.75 57.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.562 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.439 ' HE1' HD23 ' A' ' 890' ' ' LEU . 11.1 mmt -46.52 121.74 3.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.619 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.32 -28.92 7.96 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.416 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . 0.417 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.7 t70 -105.91 113.15 26.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.625 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -51.02 65.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.684 -173.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.07 97.5 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.43 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 9.5 tp10 -63.99 -45.95 86.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.762 0.315 . . . . 0.0 111.17 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.471 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 90.1 mtp -63.86 -45.24 90.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.438 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 875' ' ' LYS . 89.2 t -65.71 -35.8 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.25 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.54 ' HD3' ' OE2' ' A' ' 821' ' ' GLU . 47.3 ttt180 -55.99 -51.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.499 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 79.6 mm-40 -59.88 -41.82 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.96 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.98 86.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 70.9 mtp180 -68.93 -32.99 73.0 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.796 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.9 mt -66.34 -44.36 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.756 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.586 HD21 HG21 ' A' ' 805' ' ' ILE . 67.2 mt -58.27 -47.35 83.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.562 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.07 -43.7 70.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.088 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -65.98 -48.37 71.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.05 96.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.192 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.526 HG22 ' HG ' ' A' ' 863' ' ' LEU . 49.5 m -60.96 -37.73 83.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.1 m -60.94 -33.74 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.559 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.83 -52.55 49.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.043 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.431 HD13 HD11 ' A' ' 805' ' ' ILE . 26.0 mt -60.59 -47.91 84.09 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.927 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 833' ' ' THR . 86.7 t -53.82 -42.37 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 -178.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.27 -44.75 35.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.66 0.267 . . . . 0.0 111.254 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.2 68.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.506 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.74 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.062 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.87 -41.41 97.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.278 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.67 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 0.0 110.614 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . 0.408 ' OD2' ' HD3' ' A' ' 797' ' ' ARG . 33.4 t70 -72.19 -34.71 68.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.669 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.22 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.12 -20.29 57.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.664 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -99.31 0.16 57.06 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.245 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -86.33 144.27 27.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.2 m -89.4 -1.91 58.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.908 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -121.15 113.19 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -29.89 66.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.825 -173.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.85 -46.32 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.47 0.652 . . . . 0.0 109.31 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -63.72 -40.67 97.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.514 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 58.6 m -58.86 -40.27 83.81 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.946 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.53 -42.19 98.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.607 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.0 -44.3 97.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.46 -53.63 55.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.861 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.14 -42.96 81.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.0 m -63.94 -39.92 95.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.87 95.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.9 99.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.59 -52.13 66.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.001 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.19 -43.81 94.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.884 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.526 ' HG ' HG22 ' A' ' 833' ' ' THR . 13.3 tp -60.14 -53.17 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.753 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.99 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.28 -39.11 18.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.439 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.89 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 10.2 m -74.07 -43.51 57.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.859 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.32 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.45 -47.05 68.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.6 ' HA ' ' HB3' ' A' ' 893' ' ' ALA . 12.9 tpt -55.57 -53.39 56.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.745 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.431 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 44.9 t -59.54 -46.11 93.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.895 -175.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.5 -38.94 81.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.698 0.285 . . . . 0.0 111.416 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.04 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.519 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.86 97.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.796 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.604 ' HA ' HG22 ' A' ' 823' ' ' VAL . 98.2 mttt -58.85 -49.38 77.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.762 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.86 91.97 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.892 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.74 -25.37 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.625 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -82.76 -64.94 1.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.527 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -59.53 -36.86 76.94 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -175.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -106.79 84.25 1.48 Allowed Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 170.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.527 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.6 Cg_exo -59.64 -53.19 3.55 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.047 2.498 . . . . 0.0 113.31 -167.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.44 -2.42 31.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -173.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 67.4 m -71.58 95.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 111.015 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -63.26 -28.12 69.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.162 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 41.9 mt-10 -64.28 -49.59 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.477 178.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -66.83 -32.84 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.363 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.68 -51.24 70.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -65.01 -40.1 94.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.714 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 82.7 mtp180 -63.51 -35.85 81.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.489 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.439 HD23 ' HE1' ' A' ' 816' ' ' MET . 57.4 tp -66.13 -39.7 90.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 176.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.67 -47.75 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.739 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -33.9 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . 0.6 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -69.01 -47.11 66.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.107 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.39 -35.72 81.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.25 -50.34 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.86 96.89 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.9 tm? -61.04 -50.3 73.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.344 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.57 ' HB2' HG22 ' A' ' 809' ' ' THR . 52.8 ttp180 -63.74 -40.13 95.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.484 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 52.9 ttp -60.52 -54.66 42.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.66 95.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.256 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.666 HG21 ' HB ' ' A' ' 805' ' ' ILE . 87.9 m -63.72 -49.47 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.246 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.412 ' O ' ' HB1' ' A' ' 905' ' ' ALA . 60.6 t30 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.419 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.44 81.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.425 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.78 73.99 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.98 0.419 . . . . 0.0 110.578 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 902' ' ' ASN . . . -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.643 175.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -75.29 -23.8 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.68 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -78.64 -6.56 56.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.208 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -70.67 89.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 49.7 mm -73.45 102.18 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.064 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -91.96 115.41 28.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.449 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.568 175.877 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 7.0 tp -113.3 127.31 70.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.0 0.429 . . . . 0.0 110.226 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . 0.711 ' HB2' ' HD1' ' A' ' 785' ' ' PHE . 3.9 p-10 -87.72 137.12 32.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.902 0.382 . . . . 0.0 110.45 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -87.81 19.45 1.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.836 2.357 . . . . 0.0 112.271 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . 0.711 ' HD1' ' HB2' ' A' ' 783' ' ' ASP . 87.3 m-85 -86.74 -49.99 7.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 6.4 t -145.47 83.98 1.68 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 122.023 0.916 . . . . 0.0 110.521 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -101.75 16.74 24.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.527 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -141.55 128.9 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.362 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -144.58 154.67 43.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.672 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 8.9 t -100.75 -6.55 24.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.713 0.292 . . . . 0.0 110.9 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -65.4 -66.38 2.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.992 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -132.16 88.25 2.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.8 0.333 . . . . 0.0 110.232 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . 0.408 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . -173.21 -125.61 0.85 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.334 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.408 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 3.0 Cg_exo -75.11 129.46 12.27 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.268 2.645 . . . . 0.0 112.542 -177.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -87.17 154.37 20.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.345 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 61.39 -130.87 47.08 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.862 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.432 ' HD2' ' HB2' ' A' ' 908' ' ' ALA . 15.7 ptp180 -141.59 -25.46 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.749 0.274 . . . . 0.0 111.394 174.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.41 ' HB3' HD23 ' A' ' 836' ' ' LEU . 18.4 m-85 -119.86 2.02 11.03 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 122.438 -0.164 . . . . 0.0 110.863 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . 0.401 ' HA ' ' OG1' ' A' ' 802' ' ' THR . 37.6 t70 -67.11 -28.12 67.9 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -165.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -72.14 -38.29 69.26 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.79 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -78.78 -40.25 33.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.401 ' OG1' ' HA ' ' A' ' 799' ' ' ASP . 32.8 p -64.94 -39.76 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.695 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -48.22 -47.88 35.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.277 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 808' ' ' VAL . 48.6 m -60.85 -51.73 68.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.666 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.804 HD11 HD11 ' A' ' 836' ' ' LEU . 58.9 mt -58.56 -54.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.374 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 806' ' ' LEU . 2.1 mm? -54.76 -46.06 74.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.403 0.144 . . . . 0.0 111.287 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -65.95 -44.93 83.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.284 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.482 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 86.2 t -69.27 -36.01 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.066 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.448 HG23 ' HB2' ' A' ' 898' ' ' ARG . 98.9 m -54.87 -53.38 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.412 . . . . 0.0 111.832 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.32 -24.9 67.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 86.3 m-20 -62.53 -27.68 69.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.685 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.444 ' CG2' HD23 ' A' ' 890' ' ' LEU . 2.0 mp -56.96 -43.28 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.422 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 894' ' ' ALA . 96.3 m-85 -70.82 -33.75 71.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.78 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 21.4 t -75.29 -27.73 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -82.79 -2.93 55.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.311 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 9.6 mmt -45.64 108.37 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.502 0.501 . . . . 0.0 111.431 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 139.6 -45.09 1.03 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -103.71 115.67 30.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 0.0 110.283 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.591 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.02 -46.82 82.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.393 -176.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.92 -45.67 79.79 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.386 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.4 tp10 -67.34 -43.48 81.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.884 0.342 . . . . 0.0 110.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.54 -47.9 83.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.764 0.316 . . . . 0.0 110.916 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.7 -37.14 79.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.368 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -60.46 -43.6 96.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 32.1 mm-40 -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.441 ' HB2' HG12 ' A' ' 871' ' ' VAL . . . -61.31 -36.48 80.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.1 -46.78 87.43 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.076 0.465 . . . . 0.0 110.286 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.42 -43.26 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.386 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.1 -43.49 98.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.031 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.22 -45.19 84.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.33 -49.46 71.64 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.94 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.591 HG23 ' HG ' ' A' ' 863' ' ' LEU . 42.9 m -60.24 -41.6 93.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.4 m -61.23 -43.14 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -41.49 90.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.625 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.804 HD11 HD11 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -62.34 -46.68 87.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.54 HG11 ' HB3' ' A' ' 860' ' ' ALA . 73.4 t -55.48 -43.93 74.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.756 0.312 . . . . 0.0 110.689 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.79 -45.92 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.07 98.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 836' ' ' LEU . 75.7 mt -63.8 -46.9 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.416 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 98.2 mttt -58.76 -43.11 90.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.703 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.27 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.038 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -70.41 -32.57 70.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.66 78.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.747 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 49.9 mm-40 -70.17 -34.04 72.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.139 0.495 . . . . 0.0 110.271 176.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -92.69 10.03 74.7 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -88.92 142.92 27.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 10.0 m -78.82 -29.14 44.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 852' ' ' ASN . 27.2 m-20 -91.05 107.12 18.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.152 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.97 -42.19 98.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.618 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.95 -34.82 75.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 849' ' ' ASP . 63.8 t30 -77.43 -32.68 54.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.266 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 40.5 m -56.72 -41.65 77.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.223 0.535 . . . . 0.0 109.904 174.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 854' ' ' ARG . 22.5 mtp180 -68.6 -33.33 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.268 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.14 -43.62 86.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.032 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.36 -46.89 88.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.299 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 853' ' ' SER . 97.8 mt -58.9 -39.2 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 177.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.0 t -64.67 -48.15 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.135 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.31 90.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.54 ' HB3' HG11 ' A' ' 837' ' ' VAL . . . -60.42 -40.9 92.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.764 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.24 -52.42 54.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -41.95 68.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.591 ' HG ' HG23 ' A' ' 833' ' ' THR . 6.8 tp -59.97 -56.82 16.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.853 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.84 -29.23 62.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 869' ' ' LYS . 46.7 m-20 -82.58 -45.33 14.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.802 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.7 -30.74 65.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.099 0.476 . . . . 0.0 109.857 175.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 871' ' ' VAL . 29.6 m -67.58 -52.8 34.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.823 177.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.84 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.857 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 865' ' ' ASP . 51.2 mtpt -63.49 -51.64 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.139 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 7.1 ptm -72.68 -30.74 64.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.287 -174.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.441 HG12 ' HB2' ' A' ' 826' ' ' ALA . 53.5 t -64.82 -44.24 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.781 0.324 . . . . 0.0 110.58 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -72.0 -34.74 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.32 92.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.52 96.37 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.56 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -51.74 -52.87 45.38 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.65 82.9 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.033 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.98 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 0.0 111.059 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.591 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.34 -67.39 0.8 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.552 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.92 -34.23 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.507 -173.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -107.66 83.12 1.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 172.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 9.7 Cg_exo -70.23 -27.09 24.65 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.882 2.388 . . . . 0.0 112.549 -171.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.26 -25.69 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 39.2 m -72.7 122.58 21.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -93.55 -30.6 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.597 -175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 mt-10 -60.71 -40.48 92.4 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.097 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 54.7 mm-40 -63.29 -45.82 89.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.087 0.47 . . . . 0.0 110.07 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -65.09 -43.74 91.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.477 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.1 mtt180 -61.66 -37.13 82.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.447 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.444 HD23 ' CG2' ' A' ' 812' ' ' ILE . 53.1 tp -65.27 -39.95 93.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.642 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 68.8 mtp180 -53.63 -46.77 70.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.988 0.423 . . . . 0.0 110.631 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -75.52 -44.81 41.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.457 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.48 78.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.571 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 813' ' ' PHE . . . -68.47 -41.02 80.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.438 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.8 -28.8 67.89 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.728 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.04 75.44 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.377 174.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -67.48 -45.43 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.448 ' HB2' HG23 ' A' ' 809' ' ' THR . 70.9 ttt180 -53.78 -48.85 69.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.379 175.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 20.4 ttt -62.36 -47.11 85.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.368 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.85 79.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.911 0.386 . . . . 0.0 111.383 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 901' ' ' THR . . . . . . . . . . . . . 16.6 m -67.44 -45.33 76.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.72 -40.61 88.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.51 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . 0.458 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -65.14 -49.37 70.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.466 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.73 -35.41 74.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.058 0.456 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.63 -52.36 66.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.846 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -79.01 -22.64 45.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.594 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 18.2 t-20 -59.88 -45.86 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.654 -177.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.432 ' HB2' ' HD2' ' A' ' 797' ' ' ARG . . . -47.51 110.0 0.27 Allowed 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.987 0.804 . . . . 0.0 111.605 -178.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 4.6 mp -76.83 123.35 33.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.427 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -93.91 120.85 34.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.961 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.671 176.791 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 4.5 mp -115.19 90.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.162 0.506 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -99.18 113.59 64.85 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.74 107.8 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.959 2.439 . . . . 0.0 112.371 -176.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -89.48 93.22 9.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.316 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.9 m 56.08 40.38 30.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.883 0.849 . . . . 0.0 110.395 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -83.11 49.93 1.64 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.947 -175.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -123.11 83.03 2.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.701 177.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -131.3 20.01 4.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.144 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 17.7 m -89.31 90.6 8.4 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.301 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -123.51 5.64 9.27 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.234 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 58.4 84.38 0.11 Allowed 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.062 0.545 . . . . 0.0 111.747 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -77.39 144.07 28.99 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.039 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.85 171.06 12.84 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.793 2.328 . . . . 0.0 112.191 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 799' ' ' ASP . . . -88.72 85.34 6.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.886 0.374 . . . . 0.0 110.47 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -76.74 48.39 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.815 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.674 ' HB3' ' HB1' ' A' ' 908' ' ' ALA . 28.7 tpt180 -106.31 -54.55 2.46 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' A' ' 797' ' ' ARG . 6.6 m-85 -120.69 12.85 11.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . 0.439 ' HB2' ' O ' ' A' ' 795' ' ' ALA . 30.2 t70 -67.31 -29.21 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.983 -168.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.08 -42.51 76.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.09 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -76.22 -41.39 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.448 HG22 HD12 ' A' ' 836' ' ' LEU . 19.9 p -62.74 -47.38 83.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.409 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -49.94 -42.71 49.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.151 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.407 ' O ' HG22 ' A' ' 808' ' ' VAL . 23.7 m -60.49 -52.16 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.8 HD13 HD13 ' A' ' 836' ' ' LEU . 65.3 mt -62.69 -51.61 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.578 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.7 mm? -53.58 -40.63 65.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.644 0.259 . . . . 0.0 111.16 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.3 m -76.05 -48.82 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.583 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.442 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 96.2 t -63.95 -30.95 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.208 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.684 HG22 ' HB2' ' A' ' 898' ' ' ARG . 58.6 m -52.84 -47.75 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 111.455 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -62.5 -25.91 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.442 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 83.3 m-20 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -172.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.566 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.1 mp -61.81 -37.9 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.233 0.539 . . . . 0.0 109.931 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -72.12 -27.14 62.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.595 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.2 m -76.03 -27.92 57.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 110.321 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 74.1 m -82.67 -3.35 56.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.558 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.0 mmt -48.48 128.52 14.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 119.38 -52.05 0.73 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.38 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . 0.445 ' O ' ' HG3' ' A' ' 822' ' ' MET . 35.2 t70 -101.21 113.23 26.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 109.887 176.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.481 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.94 -47.63 79.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.557 -173.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.73 -44.95 60.78 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.707 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.8 tt0 -67.94 -37.4 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 117.029 0.414 . . . . 0.0 111.003 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.445 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 87.2 mtp -58.85 -45.75 89.37 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.084 0.468 . . . . 0.0 110.507 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.625 HG23 ' HA ' ' A' ' 875' ' ' LYS . 70.6 t -66.01 -33.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.734 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.6 ttp180 -62.01 -42.47 99.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.566 ' HB2' HG13 ' A' ' 812' ' ' ILE . 77.7 mm-40 -61.91 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.502 ' HB2' ' HA ' ' A' ' 871' ' ' VAL . . . -60.22 -39.08 85.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.038 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -64.13 -35.31 80.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.7 mt -64.5 -47.47 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.963 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.0 83.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.822 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.37 -47.46 76.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.07 93.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.285 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 863' ' ' LEU . 85.4 m -61.67 -39.0 89.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.3 m -64.14 -44.4 92.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.543 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.42 -37.92 89.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.198 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.8 HD13 HD13 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -63.75 -49.09 74.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.069 177.491 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.681 HG12 ' HB2' ' A' ' 860' ' ' ALA . 76.4 t -59.39 -41.76 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.001 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -59.23 -41.95 89.91 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.973 0.416 . . . . 0.0 110.626 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.64 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 836' ' ' LEU . 70.4 mt -58.1 -47.81 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.81 -52.06 67.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.819 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.41 82.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -68.71 -38.9 80.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.02 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.86 -33.18 75.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.273 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.44 -32.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.51 -25.13 33.96 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.657 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.39 132.63 54.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.695 177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.9 m -92.97 -5.79 49.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.646 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.444 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 13.6 t70 -88.76 108.45 19.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 850' ' ' LEU . 0.8 OUTLIER -59.35 -47.23 86.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.808 -170.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.444 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 9.4 pt-20 -67.29 -33.88 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.002 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.521 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.7 t30 -68.54 -39.06 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.856 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 67.8 m -60.19 -49.33 78.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.565 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.828 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -62.74 -46.29 88.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.51 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 97.7 mt -61.03 -49.04 78.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.47 -30.92 71.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.455 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 50.5 m -77.46 -36.07 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.746 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.49 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.681 ' HB2' HG12 ' A' ' 837' ' ' VAL . . . -59.57 -41.41 90.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.26 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -58.65 -50.93 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.009 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.24 -48.34 89.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.496 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.2 tp -58.1 -55.77 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.739 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.93 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.481 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.29 -37.83 27.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.565 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -60.48 -33.78 73.09 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.418 ' OG1' HG22 ' A' ' 833' ' ' THR . 5.8 m -72.86 -42.31 63.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.165 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.52 80.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 110.29 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -60.66 -53.97 50.93 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.138 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 11.8 tpt -55.52 -52.47 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.194 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.502 ' HA ' ' HB2' ' A' ' 826' ' ' ALA . 40.9 t -59.0 -49.09 84.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.696 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.994 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.18 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.198 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.67 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.346 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.625 ' HA ' HG23 ' A' ' 823' ' ' VAL . 54.2 mtpt -58.44 -47.28 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.07 87.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.911 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.488 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -67.7 -27.72 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.149 0.499 . . . . 0.0 111.065 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.481 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -77.05 -63.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.684 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.535 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -64.78 -30.1 71.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.283 -175.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . 0.539 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 38.8 m80 -105.72 85.58 1.54 Allowed Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 16.7 Cg_exo -66.93 -57.86 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.839 2.359 . . . . 0.0 112.751 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.98 -3.99 35.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.736 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.539 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 21.1 m -74.68 97.6 3.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.032 0.444 . . . . 0.0 110.574 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.72 -30.06 69.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.076 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.93 -48.01 83.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 109.862 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.488 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 14.4 mm100 -66.48 -41.65 88.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.493 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.582 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -57.34 -50.74 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.51 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 58.0 tp60 -58.56 -48.96 79.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.799 178.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -57.99 -41.45 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.492 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.01 -43.44 95.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.667 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 89.4 mtt180 -57.8 -40.97 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.278 0.561 . . . . 0.0 110.186 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 41.7 mt-10 -73.41 -43.65 60.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.13 62.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . 0.464 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -62.78 -50.38 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.312 . . . . 0.0 111.132 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.15 -28.49 67.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -71.49 -38.61 61.92 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.646 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.4 tm? -63.42 -46.87 84.34 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 174.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.684 ' HB2' HG22 ' A' ' 809' ' ' THR . 51.1 ttp180 -57.73 -47.34 82.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.06 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 26.0 ttt -58.4 -47.46 83.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.346 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.83 92.89 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.935 0.398 . . . . 0.0 110.941 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.506 HG22 ' HB ' ' A' ' 805' ' ' ILE . 30.7 m -66.36 -43.7 85.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.937 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.403 ' O ' ' HB2' ' A' ' 905' ' ' ALA . 33.2 t-20 -58.2 -46.0 86.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.774 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.68 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.055 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.32 -29.98 71.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 902' ' ' ASN . . . -63.05 -39.53 95.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.766 176.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -78.1 -23.51 47.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.993 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -70.89 -14.41 62.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.228 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' A' ' 797' ' ' ARG . . . -72.39 96.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.673 178.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 63.6 mt -118.93 96.58 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.87 0.367 . . . . 0.0 111.074 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 16.1 ttpp -143.93 119.15 10.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.044 173.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt . . . . . 0 C--O 1.244 0.787 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.886 176.838 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 16.3 pt -64.01 139.58 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 12.5 t70 66.67 114.07 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 123.926 0.766 . . . . 0.0 110.459 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.19 30.38 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.892 2.394 . . . . 0.0 113.17 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 58.65 36.33 24.95 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.056 0.455 . . . . 0.0 110.191 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 30.3 m 67.1 93.13 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.574 -177.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -96.86 -16.92 20.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.873 177.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -131.48 124.29 29.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.68 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -64.14 -48.32 76.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.161 0.505 . . . . 0.0 110.15 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 16.5 m -80.5 106.4 12.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.827 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 130.08 -35.46 2.52 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -96.16 -34.29 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.005 0.431 . . . . 0.0 110.325 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 71.41 -142.85 34.67 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.356 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.04 114.54 3.78 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.55 2.167 . . . . 0.0 111.767 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -117.45 150.32 39.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 117.68 -20.91 10.77 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.054 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.35 -62.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.244 0.522 . . . . 0.0 111.49 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -86.75 -47.01 9.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.31 -170.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.86 -34.42 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.412 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.84 -45.38 86.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.107 0.48 . . . . 0.0 110.245 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -72.38 -44.16 62.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.049 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.719 HG23 ' HB3' ' A' ' 905' ' ' ALA . 46.7 p -67.26 -44.72 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.446 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.57 -35.89 75.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.216 0.531 . . . . 0.0 109.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.435 ' O ' HG21 ' A' ' 808' ' ' VAL . 93.0 m -67.34 -58.02 5.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.344 174.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.714 HG23 HD21 ' A' ' 829' ' ' LEU . 81.7 mt -55.79 -46.6 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 122.318 0.247 . . . . 0.0 111.614 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.0 mp -56.31 -42.36 77.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.389 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 31.0 m -76.69 -39.28 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.582 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.54 HG11 HE21 ' A' ' 825' ' ' GLN . 74.8 t -65.65 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 122.045 -0.409 . . . . 0.0 110.596 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.671 HG23 ' HB2' ' A' ' 898' ' ' ARG . 93.4 m -57.74 -54.18 49.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.809 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.11 -25.52 65.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 110.218 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.74 -21.83 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.987 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.491 HG21 HD11 ' A' ' 890' ' ' LEU . 2.4 mp -65.01 -38.65 83.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -72.81 -32.25 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.387 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 16.7 t -68.97 -39.81 79.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.972 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 16.3 m -83.08 -6.3 59.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.529 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.431 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.3 ttm -53.1 119.37 4.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.735 -177.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 118.08 -0.27 16.98 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.478 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -134.68 117.02 15.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.597 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.11 -54.35 35.38 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.0 111.703 -174.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.59 -46.19 93.58 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.205 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 39.9 tp10 -68.39 -35.2 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.572 0.225 . . . . 0.0 111.266 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.431 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -66.08 -44.68 83.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.651 0.262 . . . . 0.0 110.853 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 57.9 t -66.06 -36.72 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.117 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.408 ' O ' HG13 ' A' ' 828' ' ' ILE . 76.9 ttt180 -52.07 -52.28 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.62 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.54 HE21 HG11 ' A' ' 808' ' ' VAL . 15.4 mm100 -64.46 -39.31 93.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.996 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.29 82.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.771 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 30.0 mtm180 -66.02 -36.55 83.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.693 0.283 . . . . 0.0 110.671 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.465 ' HB ' HG12 ' A' ' 808' ' ' VAL . 55.7 mt -61.61 -39.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.983 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.714 HD21 HG23 ' A' ' 805' ' ' ILE . 82.8 mt -62.31 -48.55 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.666 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.94 -49.97 66.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.151 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.28 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.629 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.501 HG23 ' HG ' ' A' ' 863' ' ' LEU . 49.6 m -58.59 -34.97 71.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.078 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.7 m -58.65 -33.44 70.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.82 -43.93 67.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.876 0.37 . . . . 0.0 110.213 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.81 -46.02 89.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 833' ' ' THR . 90.4 t -55.88 -37.83 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.704 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.43 -49.91 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.389 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.75 47.34 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 73.3 mt -60.02 -39.93 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.642 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 38.8 ttmt -68.18 -43.21 78.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.737 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.65 93.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.29 -36.08 82.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.504 ' HB3' ' HG ' ' A' ' 857' ' ' LEU . . . -66.99 -39.26 87.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 177.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 52.4 mt-10 -72.96 -15.13 61.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.083 0.468 . . . . 0.0 110.452 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -93.55 -36.9 5.71 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.12 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.32 127.71 33.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 39.5 m -82.15 -16.06 51.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.18 115.19 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -39.18 93.89 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.44 -36.98 82.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.45 -36.66 45.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.557 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 18.5 p -69.86 -45.22 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.719 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.3 -38.05 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.629 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.407 ' HB3' ' HE2' ' A' ' 855' ' ' LYS . 36.8 ttpt -61.01 -51.31 69.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.405 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.92 -44.43 96.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.504 ' HG ' ' HB3' ' A' ' 844' ' ' ALA . 75.0 mt -59.12 -41.97 89.44 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.056 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.9 m -68.32 -42.26 79.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.109 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.45 93.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.88 -43.51 71.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.8 -43.96 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.95 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.501 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.2 tp -58.09 -53.2 60.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.334 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.77 67.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.874 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.28 -35.44 35.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.412 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -59.91 -36.24 76.58 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.45 ' OG1' HG22 ' A' ' 833' ' ' THR . 15.6 m -70.85 -46.52 62.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.072 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.55 78.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.454 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -70.68 -45.42 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.285 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.34 -52.24 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.827 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.5 t -61.28 -45.68 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.709 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -67.72 -37.57 82.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.3 82.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.508 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . 0.463 ' HA ' HD13 ' A' ' 890' ' ' LEU . . . -55.99 -44.07 78.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.281 176.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 871' ' ' VAL . 99.5 mttt -56.39 -51.81 66.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.17 86.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.596 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.506 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.35 -32.03 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.597 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -73.42 -59.07 2.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.36 -30.04 70.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.471 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -106.89 80.67 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.5 -40.26 18.95 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.564 2.176 . . . . 0.0 112.844 -169.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -76.95 -18.14 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.078 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 26.6 m -79.56 102.01 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.032 0.444 . . . . 0.0 111.216 -175.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . 0.438 ' HA ' ' CG ' ' A' ' 887' ' ' GLN . 42.0 mt-10 -73.57 -19.15 60.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 12.7 mm100 -68.48 -40.81 80.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.003 174.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.518 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 78.0 mm-40 -59.48 -43.05 93.35 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.642 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -54.07 -53.82 47.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.37 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -56.15 -43.7 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.79 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 812' ' ' ILE . 41.0 tp -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.112 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.5 mtt180 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.613 -174.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.23 -34.88 73.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.85 61.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.9 99.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.997 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 47.6 mt-10 -66.3 -38.84 88.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.164 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.02 95.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.691 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.539 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.6 tm? -64.21 -49.29 72.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.935 0.398 . . . . 0.0 110.267 176.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.671 ' HB2' HG23 ' A' ' 809' ' ' THR . 28.6 ttt180 -60.56 -43.22 97.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.75 -46.88 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.774 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.37 94.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.065 0.46 . . . . 0.0 110.843 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.65 HG23 ' HB ' ' A' ' 805' ' ' ILE . 43.9 m -64.26 -51.8 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.022 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 906' ' ' GLN . 37.5 t-20 -58.19 -42.17 85.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.934 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.75 93.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.57 70.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 110.602 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.719 ' HB3' HG23 ' A' ' 802' ' ' THR . . . -63.44 -42.14 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.975 176.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 64.0 mm-40 -70.9 -23.43 62.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.201 0.524 . . . . 0.0 110.422 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -78.25 -5.42 51.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.798 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -64.85 88.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.137 0.494 . . . . 0.0 110.927 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 47.0 mm -114.05 113.07 42.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.401 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -123.54 109.18 13.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.264 0.554 . . . . 0.0 110.695 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 80.3 mttt . . . . . 0 C--O 1.246 0.894 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.546 -177.386 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 12.8 mt -95.29 17.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 122.113 0.959 . . . . 0.0 108.966 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.78 158.85 72.55 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.328 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.26 139.26 89.25 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.908 2.405 . . . . 0.0 112.652 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -112.27 -176.2 2.86 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.174 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 15.1 m -65.47 -37.69 87.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 58.31 93.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.372 -1.285 . . . . 0.0 112.26 173.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -104.96 -4.58 21.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.27 0.557 . . . . 0.0 109.965 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -76.78 145.03 38.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.993 175.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 40.7 p 48.73 42.7 20.09 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.295 0.638 . . . . 0.0 111.694 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -151.6 35.82 0.86 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.83 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -119.22 -11.49 9.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . 0.436 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -160.85 141.51 7.42 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.568 ' HB2' ' HG2' ' A' ' 910' ' ' LYS . 5.4 Cg_exo -79.67 111.32 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.865 2.377 . . . . 0.0 112.296 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -107.66 118.26 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.952 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . 0.88 ' HA3' ' HA ' ' A' ' 910' ' ' LYS . . . -109.88 -124.06 4.73 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.416 -175.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 19.3 ttp-105 -85.56 -47.66 9.66 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -168.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.577 ' CD2' ' HB2' ' A' ' 908' ' ' ALA . 12.9 m-30 -94.4 -8.39 38.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.51 -177.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.1 -30.03 69.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.035 -170.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -72.6 -32.77 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.051 0.453 . . . . 0.0 110.571 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.65 -42.95 21.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.808 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.44 HG23 HD11 ' A' ' 836' ' ' LEU . 12.5 p -64.4 -34.14 77.48 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.573 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -52.55 -44.15 65.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.439 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 808' ' ' VAL . 50.2 m -63.4 -54.73 32.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.525 HG21 HD21 ' A' ' 829' ' ' LEU . 76.4 mt -58.4 -49.11 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.198 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.6 mp -57.55 -44.73 85.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 34.2 m -69.91 -43.47 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.192 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 93.1 t -66.24 -31.1 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.547 0.213 . . . . 0.0 110.851 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 93.1 m -57.71 -42.83 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.772 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.37 -30.64 62.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.349 0.595 . . . . 0.0 110.157 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 0.9 OUTLIER -67.05 -32.51 73.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.135 -173.364 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.404 ' CG2' HD21 ' A' ' 890' ' ' LEU . 4.2 mp -64.4 -36.34 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.58 -26.69 55.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.1 t -77.34 -33.76 55.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.5 p -83.38 -2.94 56.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.735 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.6 mmt -42.46 105.37 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.598 0.561 . . . . 0.0 112.373 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.32 -24.52 5.3 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.186 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -98.25 106.69 19.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' A' ' 879' ' ' ALA . . . -65.59 -31.88 73.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 -173.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -76.7 -48.84 8.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.2 tt0 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -174.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.451 ' HB2' ' CB ' ' A' ' 878' ' ' ALA . 88.1 mtp -58.57 -40.76 84.03 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.917 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.656 HG21 ' HA ' ' A' ' 875' ' ' LYS . 54.3 t -69.12 -40.35 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.043 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.477 ' O ' HG13 ' A' ' 828' ' ' ILE . 74.6 ttt180 -56.23 -44.71 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.925 177.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 8.8 mm100 -69.56 -38.46 77.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.864 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -39.21 80.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.964 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.06 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.694 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 824' ' ' ARG . 64.8 mt -65.71 -42.29 92.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.931 0.396 . . . . 0.0 109.976 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.525 HD21 HG21 ' A' ' 805' ' ' ILE . 52.1 mt -61.24 -50.52 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.707 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.72 -46.3 74.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -65.13 -43.86 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.67 77.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.484 ' O ' HG22 ' A' ' 837' ' ' VAL . 53.9 m -58.98 -40.45 84.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.709 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.1 m -59.17 -43.87 92.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.54 -38.72 87.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.633 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.497 HD12 HD11 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -68.68 -46.66 68.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.755 -178.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 833' ' ' THR . 83.5 t -57.72 -40.62 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.197 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.71 -39.38 84.46 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.853 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 836' ' ' LEU . 61.6 mt -60.92 -47.38 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.472 ' HE3' ' CG1' ' A' ' 837' ' ' VAL . 98.7 mttt -58.82 -47.17 85.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.882 0.372 . . . . 0.0 111.022 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.15 80.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.508 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . 0.402 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 33.8 t70 -72.43 -31.48 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 109.956 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.14 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.29 -15.88 61.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.749 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -91.84 -2.99 68.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.755 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -78.0 148.25 34.48 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.511 0.324 . . . . 0.0 110.262 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.5 m -89.19 -28.03 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.925 0.393 . . . . 0.0 110.454 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 13.5 t70 -86.6 112.66 21.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 850' ' ' LEU . 2.3 tm? -63.98 -40.15 95.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.835 0.35 . . . . 0.0 110.797 -173.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -71.31 -39.55 71.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.42 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.498 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.6 t30 -68.04 -25.39 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.282 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.9 m -65.02 -46.0 83.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -65.38 -37.13 86.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.197 0.522 . . . . 0.0 109.72 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 852' ' ' ASN . 79.3 tttt -56.26 -48.87 75.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.697 175.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.22 -49.7 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 174.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.91 -34.87 70.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 36.6 t -58.51 -47.41 84.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.33 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.44 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.9 91.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -62.65 -47.54 83.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.62 -44.63 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.471 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.462 ' HG ' HG21 ' A' ' 833' ' ' THR . 8.2 tp -60.02 -57.48 12.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.757 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.38 62.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.936 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.87 -42.59 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.639 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.65 68.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.086 0.47 . . . . 0.0 110.061 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.421 ' OG1' HG23 ' A' ' 833' ' ' THR . 17.5 m -73.01 -47.03 48.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.076 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.63 82.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.82 -49.85 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.296 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.503 ' HA ' ' HB2' ' A' ' 893' ' ' ALA . 10.7 tpt -55.02 -51.17 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.906 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 40.0 t -58.36 -50.93 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.791 -176.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.91 -38.3 90.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 110.971 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.07 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.71 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.677 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.674 ' HB3' ' HZ2' ' A' ' 875' ' ' LYS . 9.4 mtpm? -59.53 -47.69 84.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.039 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 880' ' ' HIS . . . -68.73 -40.49 85.34 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.754 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -72.01 -26.85 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.047 0.451 . . . . 0.0 111.021 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 822' ' ' MET . . . -75.66 -65.08 0.94 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.751 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -63.4 -29.78 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . 0.576 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 58.4 m-70 -107.06 81.66 0.99 Allowed Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 169.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 19.4 Cg_exo -65.81 -49.21 2.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.676 2.251 . . . . 0.0 112.89 -170.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.78 -7.9 56.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.217 -174.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.576 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 53.8 m -67.54 108.61 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 0.0 111.358 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . 0.508 ' H ' ' CD ' ' A' ' 884' ' ' GLU . 1.6 mp0 -57.35 -47.94 80.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.036 -177.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 tt0 -67.59 -35.82 79.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.746 -175.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.422 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 15.7 mm100 -65.14 -41.15 95.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.727 0.299 . . . . 0.0 110.313 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.497 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.2 mm-40 -62.47 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.67 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.5 mtt180 -55.2 -44.31 75.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.371 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.404 HD21 ' CG2' ' A' ' 812' ' ' ILE . 43.8 tp -65.87 -41.68 91.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.222 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 75.7 mtp180 -61.42 -31.78 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.99 -47.32 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.97 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . 0.503 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -66.16 -43.93 85.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.933 -176.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 898' ' ' ARG . . . -63.82 -42.13 97.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.94 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.51 -33.59 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.539 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.2 44.44 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.477 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.35 -45.84 83.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.602 . . . . 0.0 109.764 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 894' ' ' ALA . 46.7 ttt180 -55.96 -53.76 52.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.693 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 55.3 ttp -63.51 -44.49 94.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.13 90.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.996 0.427 . . . . 0.0 110.975 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.485 HG21 ' HB ' ' A' ' 805' ' ' ILE . 18.5 m -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.734 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -61.15 -42.27 98.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -63.07 -48.02 80.45 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.579 176.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.74 72.42 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -59.62 -54.06 50.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.986 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -76.19 -23.75 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.853 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 7.6 t-20 -65.57 -40.93 93.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.743 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.577 ' HB2' ' CD2' ' A' ' 798' ' ' TYR . . . -62.0 119.05 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.503 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.06 133.72 20.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.417 171.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . 0.88 ' HA ' ' HA3' ' A' ' 796' ' ' GLY . 3.7 mptp? -85.53 46.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.193 0.52 . . . . 0.0 111.691 -173.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' A' ' 911' ' ' LYS . 20.3 ptmt . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.314 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . 0.835 ' HA2' HG21 ' A' ' 808' ' ' VAL . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 42.1 mm -89.25 73.53 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 170.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.24 146.24 37.65 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.356 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.02 176.89 8.89 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.384 2.056 . . . . 0.0 113.458 -173.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 73.46 -56.94 0.64 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.028 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 13.3 t -105.84 158.96 16.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 54.84 68.67 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -81.36 -13.24 58.55 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -140.56 122.65 15.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.32 174.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 7.7 m -79.38 -56.11 4.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.21 -176.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 159.61 60.7 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -80.1 136.21 36.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.709 0.29 . . . . 0.0 110.452 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 145.29 -135.27 5.91 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.86 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.07 118.37 5.24 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.843 2.362 . . . . 0.0 112.254 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -119.47 143.74 47.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.632 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -138.17 113.84 1.01 Allowed Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.073 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 64.93 -91.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.272 0.629 . . . . 0.0 111.581 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.425 ' HB3' HD21 ' A' ' 836' ' ' LEU . 1.6 m-85 -139.06 20.17 2.62 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 121.206 -0.198 . . . . 0.0 110.692 -175.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -66.19 -38.45 88.04 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.634 -167.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.34 -43.04 58.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 109.963 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.42 86.11 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.523 HG23 HD12 ' A' ' 836' ' ' LEU . 34.2 p -65.95 -49.19 68.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.314 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.73 -37.05 62.95 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.65 ' O ' HG22 ' A' ' 808' ' ' VAL . 54.2 m -56.6 -56.35 22.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.127 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.73 HD11 HD13 ' A' ' 836' ' ' LEU . 69.3 mt -61.39 -45.8 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.319 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 902' ' ' ASN . 1.4 mm? -53.16 -45.44 68.44 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.8 m -67.99 -42.41 80.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.489 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.835 HG21 ' HA2' ' A' ' 781' ' ' GLY . 47.9 t -64.9 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.407 HG21 ' HB2' ' A' ' 898' ' ' ARG . 96.6 m -53.56 -52.99 57.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.448 -176.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.53 -24.66 67.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.176 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -66.72 -24.05 66.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.767 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.403 ' CG2' HD22 ' A' ' 890' ' ' LEU . 2.6 mp -61.4 -36.8 75.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.154 177.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.46 -28.01 61.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 7.8 m -71.72 -41.31 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.22 0.533 . . . . 0.0 110.082 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.6 t -82.58 -8.69 59.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.616 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.4 ttm -50.1 111.39 0.51 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.318 -174.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.25 -23.93 3.81 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.622 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.59 121.13 41.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.286 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.603 ' HB3' ' HA ' ' A' ' 879' ' ' ALA . . . -64.54 -33.92 77.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.26 -175.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -77.78 -56.95 3.66 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.105 -0.569 . . . . 0.0 113.707 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 44.3 mm-40 -68.19 -30.93 70.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.616 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 82.2 mtp -63.75 -41.2 98.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.569 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 81.3 t -68.92 -34.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.486 ' O ' HG13 ' A' ' 828' ' ' ILE . 52.9 ttt180 -54.56 -53.42 54.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.302 175.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.515 ' HA ' HD13 ' A' ' 828' ' ' ILE . 77.8 mm-40 -62.29 -40.37 96.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.52 96.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.64 -37.3 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 825' ' ' GLN . 84.7 mt -61.61 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.547 HD23 HG22 ' A' ' 805' ' ' ILE . 52.6 mt -59.35 -46.67 87.99 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.454 ' HB1' HG22 ' A' ' 871' ' ' VAL . . . -57.04 -50.49 72.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.23 -44.19 89.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.281 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.529 HG22 ' OG1' ' A' ' 867' ' ' THR . 85.7 m -61.51 -36.21 79.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.8 m -60.25 -45.47 93.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.573 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.643 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.73 HD13 HD11 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -62.42 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.257 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.651 HG13 ' HB3' ' A' ' 860' ' ' ALA . 73.4 t -59.69 -41.0 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.27 -44.45 95.31 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.48 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.977 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 836' ' ' LEU . 76.4 mt -62.79 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 178.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.478 ' HE2' HG12 ' A' ' 837' ' ' VAL . 68.8 mttm -57.32 -46.02 83.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 110.772 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.06 82.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.203 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.8 -42.49 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.344 0.593 . . . . 0.0 109.648 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -60.63 -28.41 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -66.52 -35.69 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -81.86 -23.86 56.76 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.65 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 125.93 28.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.066 0.46 . . . . 0.0 110.696 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.4 m -81.58 -22.13 37.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -79.88 105.21 11.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.753 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.25 -34.64 78.11 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 855' ' ' LYS . 41.1 mt-10 -60.51 -51.63 68.64 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.581 HD22 HG12 ' A' ' 909' ' ' ILE . 62.2 t30 -65.32 -41.09 94.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.625 176.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 48.4 t -60.94 -51.26 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.771 -177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -64.8 -33.39 75.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.144 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 851' ' ' GLU . 9.8 mtmp? -65.68 -37.86 87.66 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.649 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.36 -49.93 74.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.917 0.389 . . . . 0.0 110.475 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.58 -39.75 92.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.2 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.7 m -65.67 -43.25 89.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.553 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.78 -41.73 97.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.917 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.651 ' HB3' HG13 ' A' ' 837' ' ' VAL . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -63.95 -47.28 81.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.8 -46.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.556 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.9 -57.02 14.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.475 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . 0.415 ' HB2' HG22 ' A' ' 837' ' ' VAL . . . -56.77 -26.97 58.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.958 0.409 . . . . 0.0 111.268 -176.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.74 -35.19 22.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.312 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.426 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -60.18 -38.1 82.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.529 ' OG1' HG22 ' A' ' 833' ' ' THR . 6.0 m -65.08 -43.57 91.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.881 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.39 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.767 0.318 . . . . 0.0 111.012 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.33 -48.15 76.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.496 ' HA ' ' HB3' ' A' ' 893' ' ' ALA . 11.4 tpt -55.76 -52.73 62.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.574 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.454 HG22 ' HB1' ' A' ' 830' ' ' ALA . 44.3 t -60.48 -46.01 96.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.595 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -65.45 -37.63 87.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.546 0.212 . . . . 0.0 111.346 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.39 77.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.503 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.61 96.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -55.42 -50.33 70.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.59 -41.0 66.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.731 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.09 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 0.0 111.066 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 822' ' ' MET . . . -72.78 -64.25 1.0 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.603 ' HA ' ' HB3' ' A' ' 819' ' ' ALA . . . -61.27 -31.52 71.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.346 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -106.59 81.69 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 170.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.557 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 22.8 Cg_exo -63.65 -48.53 5.49 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.86 2.373 . . . . 0.0 113.064 -166.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.14 -3.56 36.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.175 -174.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.495 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -77.05 96.15 4.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.138 0.494 . . . . 0.0 110.14 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.45 -22.7 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.349 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -65.66 -39.34 91.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 0.0 109.938 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.9 -38.01 67.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.064 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 883' ' ' SER . 76.3 mm-40 -57.84 -45.9 85.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.216 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -60.53 -44.74 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.153 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -62.34 -38.82 90.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 110.321 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.403 HD22 ' CG2' ' A' ' 812' ' ' ILE . 63.4 tp -63.05 -42.5 99.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.77 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.7 mtt180 -56.35 -44.27 79.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -73.72 -39.63 64.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . 0.496 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -66.64 -47.04 73.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.296 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.78 99.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.265 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.85 -36.99 86.13 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.776 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.91 86.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.76 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.426 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -64.04 -46.93 82.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.407 ' HB2' HG21 ' A' ' 809' ' ' THR . 42.4 ttt180 -58.63 -47.04 85.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.649 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 21.8 ttt -58.24 -50.82 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.223 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.69 93.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 111.285 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.578 HG23 ' HB ' ' A' ' 805' ' ' ILE . 51.1 m -63.47 -48.36 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.559 ' HB2' HD12 ' A' ' 806' ' ' LEU . 63.4 t30 -65.16 -28.69 69.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.162 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -72.75 -44.49 61.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.02 74.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.456 . . . . 0.0 110.094 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.415 ' HA ' HG21 ' A' ' 802' ' ' THR . . . -55.78 -44.84 78.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.724 174.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -78.52 -23.57 46.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.275 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.65 -8.04 58.27 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -54.34 127.3 26.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . 0.581 HG12 HD22 ' A' ' 852' ' ' ASN . 53.0 mt -59.18 110.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.134 -177.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . 0.451 ' HB3' ' HZ3' ' A' ' 910' ' ' LYS . 8.3 ttpm? -148.86 103.25 3.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.69 179.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.247 0.955 0 O-C-N 123.96 0.787 . . . . 0.0 110.456 -177.765 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.626 -0.59 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . 0.448 ' O ' HG13 ' A' ' 782' ' ' ILE . 11.1 tp -101.67 13.85 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.776 0.798 . . . . 0.0 110.564 -174.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -126.57 92.43 45.09 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.749 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.66 28.01 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 123.005 2.47 . . . . 0.0 112.711 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -122.78 -52.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.178 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.0 m -89.11 78.62 7.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.059 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -156.68 151.75 26.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.471 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -113.63 95.95 5.61 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 174.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -119.51 140.27 50.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.353 -175.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 6.8 p -83.61 -14.35 52.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.642 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -93.31 139.87 14.8 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.633 177.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 65.57 90.0 0.09 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.282 0.563 . . . . 0.0 110.98 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -111.39 159.0 13.99 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.797 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.05 134.95 38.77 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.884 2.389 . . . . 0.0 111.951 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' ' 800' ' ' GLN . . . -102.27 111.05 23.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.782 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -78.49 108.64 2.69 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.791 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 24.1 mmm-85 54.38 38.56 29.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.227 0.537 . . . . 0.0 111.417 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.715 ' CE2' HG12 ' A' ' 840' ' ' ILE . 0.2 OUTLIER 77.07 -18.88 0.46 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.08 170.167 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.8 -38.25 83.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . 0.674 ' HB2' ' HA ' ' A' ' 795' ' ' ALA . 19.7 mt-30 -70.79 -29.17 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.902 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.47 22.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.917 0.389 . . . . 0.0 110.312 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.565 HG22 ' HB1' ' A' ' 905' ' ' ALA . 38.2 p -64.99 -37.24 87.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -46.7 -43.98 18.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 111.023 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 808' ' ' VAL . 18.8 m -63.8 -52.12 61.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.624 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.637 ' HB ' HG23 ' A' ' 901' ' ' THR . 62.7 mt -60.31 -49.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.505 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.508 ' CD1' ' HG3' ' A' ' 898' ' ' ARG . 1.1 mm? -54.92 -39.01 68.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.739 0.304 . . . . 0.0 110.995 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.7 m -76.05 -44.41 39.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.651 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.61 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 97.4 t -68.1 -31.05 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.64 HG22 ' HB2' ' A' ' 898' ' ' ARG . 53.5 m -54.01 -53.22 55.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.92 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.8 -24.36 66.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.94 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.61 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 96.0 m-20 -58.3 -29.93 66.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.745 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.72 -38.06 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.615 0.245 . . . . 0.0 110.894 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -72.57 -35.07 67.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.9 0.381 . . . . 0.0 110.703 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.7 m -71.31 -40.65 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.173 0.511 . . . . 0.0 110.658 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 15.0 m -83.08 -2.83 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.316 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.576 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 43.2 ttm -55.38 126.25 24.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.08 0.466 . . . . 0.0 110.744 -178.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 122.57 -30.23 5.2 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.96 117.15 34.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.535 ' HA ' ' HB3' ' A' ' 878' ' ' ALA . . . -66.86 -40.51 87.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.872 -173.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -70.64 -41.33 65.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.936 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.58 -41.71 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.565 0.221 . . . . 0.0 111.253 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.576 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -60.54 -45.35 94.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.501 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.619 HG21 ' HA ' ' A' ' 875' ' ' LYS . 70.8 t -66.91 -36.61 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.165 0.507 . . . . 0.0 110.279 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.426 ' O ' HG13 ' A' ' 828' ' ' ILE . 67.6 ttt180 -61.44 -48.51 80.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.64 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -61.49 -40.16 93.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.53 82.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.227 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -68.33 -32.46 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.656 0.265 . . . . 0.0 110.857 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.0 mt -63.6 -41.44 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.556 HD22 HG22 ' A' ' 805' ' ' ILE . 83.2 mt -60.58 -45.56 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.583 174.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.72 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.23 -43.8 97.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.215 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.425 HG22 ' HG ' ' A' ' 863' ' ' LEU . 52.7 m -60.89 -33.94 73.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.728 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.3 m -57.7 -39.91 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.04 -41.67 90.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.11 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.547 ' O ' HG13 ' A' ' 840' ' ' ILE . 27.1 mt -66.64 -47.47 72.48 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.725 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 833' ' ' THR . 99.5 t -53.82 -41.3 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.797 0.332 . . . . 0.0 110.411 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -65.74 -49.84 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.94 -54.16 48.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.715 HG12 ' CE2' ' A' ' 798' ' ' TYR . 53.0 mt -56.69 -46.06 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.003 0.43 . . . . 0.0 111.414 -175.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -72.91 -32.87 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.536 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.48 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.958 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . 0.433 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.5 t70 -75.63 -27.0 58.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.043 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.41 -23.93 67.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.521 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.41 -23.27 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.94 65.25 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.587 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -76.55 133.8 39.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.985 0.421 . . . . 0.0 110.198 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 31.8 t -86.76 -15.06 40.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.217 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -89.25 112.47 23.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -31.75 67.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.582 -172.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -64.9 -44.0 91.02 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.404 ' OD1' ' HE3' ' A' ' 855' ' ' LYS . 53.8 t30 -66.58 -39.05 88.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 175.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.57 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 46.6 m -56.61 -47.76 78.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.978 0.418 . . . . 0.0 110.086 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -63.55 -37.07 85.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.965 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 855' ' ' LYS . 1.7 tmmt? -69.2 -37.87 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.651 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.61 -44.02 87.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.897 0.38 . . . . 0.0 110.36 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 853' ' ' SER . 85.4 mt -57.92 -41.08 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 6.3 p -72.3 -29.25 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.169 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.38 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.939 0.4 . . . . 0.0 110.231 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.19 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.315 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.25 -44.13 92.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.913 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.93 -51.35 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.425 ' HG ' HG22 ' A' ' 833' ' ' THR . 14.0 tp -54.75 -52.09 63.62 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.012 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.14 66.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.3 -175.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.18 -30.47 22.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.384 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.86 75.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 23.8 m -70.94 -41.33 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.084 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.471 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.87 -52.53 64.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.712 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -58.62 -43.49 89.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.671 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.42 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.8 tpt -59.63 -56.08 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.332 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.486 HG12 ' HE3' ' A' ' 875' ' ' LYS . 55.9 t -60.58 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.764 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 45.7 mm-40 -64.94 -41.36 95.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.549 0.214 . . . . 0.0 111.101 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . 0.482 ' HB2' ' HG3' ' A' ' 889' ' ' ARG . . . -65.87 -41.8 91.17 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.502 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.05 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.834 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.619 ' HA ' HG21 ' A' ' 823' ' ' VAL . 94.8 mttt -54.25 -49.76 68.78 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.05 177.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.15 -44.67 59.52 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.596 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.63 -28.74 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.062 0.458 . . . . 0.0 111.477 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.535 ' HB3' ' HA ' ' A' ' 819' ' ' ALA . . . -78.9 -66.06 0.91 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.826 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.499 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -58.89 -37.52 76.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -107.12 85.54 2.07 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.6 Cg_exo -62.92 -36.99 57.22 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.608 2.205 . . . . 0.0 112.352 -171.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.56 -30.7 57.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.78 -171.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 19.2 p -61.58 110.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 111.644 -174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -71.58 -28.33 63.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.726 -174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.35 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.093 0.473 . . . . 0.0 110.124 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.25 -44.36 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.503 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.4 mm-40 -57.88 -46.34 85.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -58.56 -50.73 72.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.533 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.482 ' HG3' ' HB2' ' A' ' 873' ' ' ALA . 16.8 ptm180 -69.53 -28.98 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.027 -177.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.97 -46.5 84.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.519 0.2 . . . . 0.0 110.678 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.5 mtt180 -57.9 -46.66 84.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.25 -38.87 85.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.65 -45.83 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.14 98.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.53 -39.11 88.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.509 176.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.07 85.85 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.904 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.09 -46.62 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.64 ' HB2' HG22 ' A' ' 809' ' ' THR . 29.1 ttp180 -59.56 -46.39 89.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 46.4 tpp -61.12 -43.72 98.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.637 HG23 ' HB ' ' A' ' 805' ' ' ILE . 39.5 m -64.73 -50.56 66.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.015 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -51.47 -51.27 56.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.712 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -66.1 -41.76 90.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.292 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.13 69.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.912 0.387 . . . . 0.0 111.201 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.565 ' HB1' HG22 ' A' ' 802' ' ' THR . . . -65.98 -51.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.87 -22.04 59.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.561 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 5.6 t-20 -61.35 -21.94 64.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.807 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -69.34 85.02 0.39 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.07 179.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 47.7 mm -118.72 105.0 16.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.085 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . 0.678 ' HZ1' ' HB3' ' A' ' 910' ' ' LYS . 4.6 ttpm? -166.47 90.82 0.42 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.956 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 911' ' ' LYS . 50.3 mtpt . . . . . 0 C--O 1.252 1.202 0 O-C-N 123.688 0.617 . . . . 0.0 111.12 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . 0.641 HD12 ' HE1' ' A' ' 785' ' ' PHE . 8.6 tp -142.12 128.86 19.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.053 0.454 . . . . 0.0 110.708 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . 0.466 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 2.9 m-20 -79.78 135.67 55.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.491 175.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 25.2 Cg_exo -62.52 113.59 2.01 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.5 2.133 . . . . 0.0 112.035 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . 0.641 ' HE1' HD12 ' A' ' 782' ' ' ILE . 82.2 m-85 -69.64 -39.31 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.486 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.1 p -81.05 -41.42 22.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.531 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 59.77 -89.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.895 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -167.87 150.9 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -71.6 117.92 13.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.895 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 14.1 p -90.75 -81.5 0.31 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.78 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -120.33 16.75 9.83 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.576 -0.609 . . . . 0.0 111.576 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -164.67 -171.05 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . 0.429 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -69.9 149.93 48.46 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.666 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' ' 910' ' ' LYS . 11.0 Cg_exo -72.14 53.58 2.07 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.231 2.621 . . . . 0.0 112.645 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -88.75 90.84 8.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.404 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -131.15 -51.27 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.489 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.46 ' HB2' ' CB ' ' A' ' 785' ' ' PHE . 34.0 ttt180 -55.96 -61.86 2.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.98 0.419 . . . . 0.0 111.239 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.746 ' HH ' ' HA ' ' A' ' 840' ' ' ILE . 3.8 m-30 -74.42 -22.59 59.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.41 -42.47 78.95 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.424 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -63.16 -45.81 90.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.106 0.479 . . . . 0.0 110.376 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.72 -44.01 91.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.473 -178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.537 HG23 ' HB1' ' A' ' 905' ' ' ALA . 22.9 p -72.56 -38.21 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.574 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.98 -41.7 83.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.686 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 808' ' ' VAL . 34.2 m -58.09 -52.32 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.295 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.669 HG22 HD21 ' A' ' 829' ' ' LEU . 80.5 mt -59.43 -49.71 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.36 -39.88 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.487 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.4 m -75.22 -43.98 48.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.35 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 804' ' ' THR . 79.6 t -65.18 -37.06 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.039 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 898' ' ' ARG . 92.2 m -55.78 -52.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.34 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.76 -26.12 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 3.8 m-80 -68.78 -26.91 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.873 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.473 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.8 mp -63.72 -41.71 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.408 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 92.3 m-85 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.2 t -78.09 -34.76 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -83.81 -3.77 58.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.55 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 83.6 mtp -50.15 116.55 1.9 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.018 0.437 . . . . 0.0 111.394 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.76 -39.7 1.71 Allowed Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -104.06 123.01 46.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.723 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.37 -54.8 27.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.996 -174.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.25 80.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.048 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.64 -47.92 61.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.665 -0.315 . . . . 0.0 111.066 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.55 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 85.9 mtp -62.11 -40.71 96.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.991 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.02 -35.81 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.407 ' O ' HG13 ' A' ' 828' ' ' ILE . 25.1 ttm-85 -56.86 -50.87 71.15 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.078 0.466 . . . . 0.0 110.596 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.408 HE21 HG12 ' A' ' 808' ' ' VAL . 15.6 mm100 -62.42 -39.29 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.021 -176.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.26 86.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.027 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -65.27 -41.58 94.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 824' ' ' ARG . 65.9 mt -60.01 -42.31 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.277 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.669 HD21 HG22 ' A' ' 805' ' ' ILE . 90.2 mt -63.84 -44.38 93.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -79.64 -48.5 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.8 81.83 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.428 HG23 ' OG1' ' A' ' 867' ' ' THR . 52.9 m -60.27 -37.1 79.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.6 t -58.55 -50.74 72.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.4 -36.53 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.551 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -66.92 -49.35 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 177.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 860' ' ' ALA . 54.7 t -57.93 -41.39 79.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.208 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -57.74 -44.97 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.397 . . . . 0.0 110.401 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.57 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.924 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.746 ' HA ' ' HH ' ' A' ' 798' ' ' TYR . 68.4 mt -58.39 -45.5 89.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.84 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.2 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.3 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.836 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -35.92 64.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.165 173.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -61.09 -43.94 98.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.59 -20.57 59.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.416 . . . . 0.0 110.567 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -100.66 4.0 56.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.439 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.63 132.64 34.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 44.8 m -85.89 -17.92 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.259 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.76 122.38 28.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.824 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.436 ' HA ' HD22 ' A' ' 850' ' ' LEU . 0.3 OUTLIER -70.34 -46.38 64.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.404 -171.741 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.45 -36.03 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.252 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.525 ' HA ' ' HD3' ' A' ' 855' ' ' LYS . 65.7 t30 -73.02 -31.24 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.0 t -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 854' ' ' ARG . 44.8 mtt180 -65.49 -45.37 83.89 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.913 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.525 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 10.1 mtpm? -55.53 -48.0 75.41 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.672 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 844' ' ' ALA . 93.8 mt -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.039 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.28 -45.14 95.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.359 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 26.2 p -67.14 -39.61 86.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.873 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.48 96.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.52 0.2 . . . . 0.0 110.701 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.542 ' HB3' HG11 ' A' ' 837' ' ' VAL . . . -62.81 -40.18 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.75 -39.93 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.845 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 88.7 mt -67.45 -47.72 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.093 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -57.58 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.883 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . 0.493 ' HB2' HG22 ' A' ' 837' ' ' VAL . . . -56.73 -34.03 67.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 0.0 110.845 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.01 -42.39 26.67 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.723 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.04 68.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 871' ' ' VAL . 22.8 m -67.74 -52.84 32.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.22 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.468 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.36 -40.71 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.795 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -57.48 -48.05 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.421 ' HE3' ' HB2' ' A' ' 870' ' ' MET . 15.9 ptm -77.25 -30.24 54.35 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.343 -175.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 867' ' ' THR . 70.3 t -65.1 -48.23 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.652 0.263 . . . . 0.0 110.396 177.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 10.8 mm-40 -63.57 -38.57 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.496 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.21 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.783 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.99 99.13 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -53.81 -50.57 65.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.015 0.436 . . . . 0.0 110.594 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.09 86.24 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.874 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.8 -29.64 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.259 0.552 . . . . 0.0 111.388 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.723 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.09 -62.91 1.45 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.133 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . 0.566 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -60.57 -31.79 70.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.191 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -106.62 82.5 1.03 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.7 Cg_exo -67.24 -29.52 38.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.718 2.278 . . . . 0.0 112.064 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.6 -30.91 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.97 -175.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.8 t -66.11 107.15 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 -176.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.31 -27.0 52.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.141 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 39.6 tt0 -63.71 -41.15 98.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.145 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.34 -34.28 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.662 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.522 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 64.5 mm-40 -64.02 -45.56 88.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.992 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -64.81 -42.79 94.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.871 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 58.8 mtp180 -56.64 -42.88 79.64 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 109.976 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.473 HD21 ' CG2' ' A' ' 812' ' ' ILE . 57.0 tp -63.45 -47.71 80.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.885 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 65.7 mtp180 -51.12 -53.68 32.06 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.296 0.372 . . . . 0.0 110.934 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -56.03 -51.14 68.86 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.343 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.42 74.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.769 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.69 76.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.3 -36.43 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.03 96.64 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.552 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.96 -38.94 93.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.561 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.569 ' HB2' HG23 ' A' ' 809' ' ' THR . 56.0 ttt180 -62.35 -46.53 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 109.583 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.08 -41.76 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.068 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.223 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.424 HG22 ' HB ' ' A' ' 805' ' ' ILE . 40.1 m -62.63 -46.89 86.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -62.08 -32.23 72.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.285 0.564 . . . . 0.0 110.065 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -74.46 -41.2 61.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.83 -27.6 68.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.186 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.537 ' HB1' HG23 ' A' ' 802' ' ' THR . . . -58.82 -36.78 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.186 175.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -78.41 -22.86 47.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.198 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -72.25 -6.99 46.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.704 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 910' ' ' LYS . . . -53.74 129.47 33.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.888 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.13 114.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.284 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 908' ' ' ALA . 31.2 mtmm -117.35 135.53 53.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.677 -177.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 57.3 mttp . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.964 174.537 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 782' ' ' ILE . 0.2 OUTLIER -136.41 177.41 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 178.866 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -98.68 112.19 62.04 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . 0.664 ' HB2' ' HB2' ' A' ' 787' ' ' ALA . 32.8 Cg_exo -57.71 112.77 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.69 2.26 . . . . 0.0 111.811 -179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -75.05 -41.2 59.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.829 -172.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.7 m -97.72 17.05 18.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.316 0.579 . . . . 0.0 110.837 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 784' ' ' PRO . . . -69.5 -37.89 77.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.564 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -93.14 -174.93 3.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.177 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 65.88 98.95 0.04 OUTLIER 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.763 0.664 . . . . 0.0 111.111 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.4 t -56.09 135.04 53.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.889 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 126.23 -172.74 17.97 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.667 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -138.88 -39.18 0.5 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.937 0.398 . . . . 0.0 110.736 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -162.04 139.04 5.72 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.709 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -62.11 140.9 86.43 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.499 2.133 . . . . 0.0 112.301 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.696 ' HB2' ' HA ' ' A' ' 799' ' ' ASP . . . -82.57 25.43 0.64 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.267 0.556 . . . . 0.0 111.268 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . 0.676 ' HA3' ' HA ' ' A' ' 910' ' ' LYS . . . 66.46 -88.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.307 -0.86 . . . . 0.0 113.638 176.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -89.39 -54.3 4.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.693 0.282 . . . . 0.0 111.485 -172.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.592 ' HH ' ' HA ' ' A' ' 840' ' ' ILE . 23.0 m-85 -100.07 39.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.672 0.272 . . . . 0.0 110.404 -175.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . 0.696 ' HA ' ' HB2' ' A' ' 795' ' ' ALA . 5.6 p-10 -68.07 -41.65 81.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.604 -172.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -73.56 -49.14 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.9 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 33.7 p -68.64 -42.63 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -49.78 -48.16 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 808' ' ' VAL . 30.2 m -57.56 -51.17 70.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.067 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.558 ' HB ' HG22 ' A' ' 901' ' ' THR . 78.7 mt -62.6 -46.81 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.623 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.442 ' HA ' HD11 ' A' ' 806' ' ' LEU . 1.3 mm? -52.17 -44.22 64.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.702 0.286 . . . . 0.0 111.225 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' THR . . . . . 0.532 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 26.9 m -76.29 -43.93 39.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.018 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.569 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 84.9 t -63.05 -28.81 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 O-C-N 122.118 -0.364 . . . . 0.0 110.781 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.413 HG22 ' HB2' ' A' ' 898' ' ' ARG . 53.9 m -54.53 -52.79 60.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.096 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.825 ' HB3' HH22 ' A' ' 898' ' ' ARG . 10.0 pt-20 -67.44 -24.51 65.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.788 -176.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.569 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.4 m-20 -59.92 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.413 HG21 HD13 ' A' ' 890' ' ' LEU . 2.9 mp -61.41 -36.11 70.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.82 0.343 . . . . 0.0 110.37 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.414 ' HA ' ' HE1' ' A' ' 816' ' ' MET . 98.4 m-85 -75.69 -28.56 58.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.5 m -76.68 -40.26 49.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.216 0.531 . . . . 0.0 110.151 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.556 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 18.9 m -82.14 -3.71 55.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.583 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.7 ttm -56.2 123.2 13.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.063 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.79 -36.61 2.09 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . 0.46 ' OD2' ' HG2' ' A' ' 821' ' ' GLU . 16.6 t70 -108.63 131.79 54.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.766 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -65.21 -55.97 15.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.583 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.41 -40.77 78.28 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.35 -0.453 . . . . 0.0 113.235 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 815' ' ' SER . 39.5 mm-40 -62.6 -50.59 70.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 111.207 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.583 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.6 mtp -63.33 -41.7 98.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.412 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 875' ' ' LYS . 99.2 t -64.54 -39.33 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 828' ' ' ILE . 36.8 ttp-105 -64.3 -41.94 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.778 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 82.8 mm-40 -61.74 -41.82 98.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.652 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.524 ' HB3' ' HA ' ' A' ' 871' ' ' VAL . . . -62.69 -40.21 96.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -64.93 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 824' ' ' ARG . 84.7 mt -61.59 -44.04 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.955 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.403 HD21 HG23 ' A' ' 805' ' ' ILE . 49.0 mt -58.07 -46.36 85.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.068 176.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.83 -45.43 90.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.952 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.68 -46.72 84.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.35 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.271 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.508 HG23 ' OG1' ' A' ' 867' ' ' THR . 99.3 m -63.49 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.771 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.2 m -61.39 -33.27 73.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.52 -50.05 72.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.811 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.542 HD13 HD13 ' A' ' 805' ' ' ILE . 20.4 mt -64.34 -47.3 79.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.759 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 833' ' ' THR . 80.1 t -51.99 -47.65 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.728 0.299 . . . . 0.0 110.718 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -72.47 -44.31 62.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.73 78.55 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.592 ' HA ' ' HH ' ' A' ' 798' ' ' TYR . 77.2 mt -61.23 -43.53 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -67.3 -37.83 84.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.868 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.64 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.74 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.93 -33.09 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.321 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.98 68.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -73.15 -26.77 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.648 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -94.01 -17.88 39.11 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.803 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.12 118.95 11.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.909 0.385 . . . . 0.0 110.359 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.3 p -84.28 -15.73 45.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.712 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.52 115.87 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 850' ' ' LEU . 21.3 tp -65.83 -43.04 89.71 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.439 -173.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.7 -45.02 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.392 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.447 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.4 t30 -68.61 -33.5 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 24.9 t -63.58 -47.91 79.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.31 -41.32 93.24 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.681 174.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -66.99 -42.29 85.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.332 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 90.0 mt -64.8 -43.06 94.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.438 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.24 -42.74 99.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 22.7 t -60.59 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.412 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.7 77.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.33 92.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.945 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.98 -53.07 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.587 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.74 -44.43 90.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.751 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.418 ' HA ' ' HB1' ' A' ' 900' ' ' ALA . 12.7 tp -60.19 -55.75 30.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.333 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.68 55.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.53 -39.83 21.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' ' 897' ' ' LEU . . . -57.72 -36.97 72.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.508 ' OG1' HG23 ' A' ' 833' ' ' THR . 8.0 m -68.68 -46.16 69.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.331 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.41 77.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.794 -0.185 . . . . 0.0 111.027 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -65.31 -39.13 92.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.609 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.3 tpt -62.44 -53.54 53.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.105 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.524 ' HA ' ' HB3' ' A' ' 826' ' ' ALA . 55.2 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.56 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.99 -38.43 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.173 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.31 84.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.493 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.3 86.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.745 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 823' ' ' VAL . 57.7 mtpt -57.27 -44.35 83.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.5 -43.38 61.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.46 64.72 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.076 0.465 . . . . 0.0 111.106 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.766 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -81.27 -61.46 1.94 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.8 78.07 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 -175.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -106.64 81.13 0.82 Allowed Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -61.5 -36.41 77.09 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.637 2.225 . . . . 0.0 112.724 -168.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.05 -13.76 59.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.356 -173.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 70.3 m -72.05 103.5 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -174.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.35 -42.14 90.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.783 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.516 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 1.8 mp0 -53.03 -50.07 64.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.664 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.54 -36.73 83.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.847 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -58.96 -50.57 73.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.428 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 58.4 tp60 -59.06 -44.74 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 86.5 mtt180 -57.74 -40.69 80.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.678 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . 0.413 HD13 HG21 ' A' ' 812' ' ' ILE . 54.9 tp -65.18 -43.7 90.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.127 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 98.3 mtt180 -55.85 -51.1 68.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.29 -28.85 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.29 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . 0.609 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -72.23 -45.12 61.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.267 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.99 -44.58 96.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.242 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.61 -34.8 77.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.596 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.07 -37.47 87.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.64 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . 0.54 ' HA ' ' HB3' ' A' ' 866' ' ' ALA . 2.7 tm? -66.78 -45.98 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.825 HH22 ' HB3' ' A' ' 810' ' ' GLU . 28.7 ttm180 -60.57 -44.31 96.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.09 -45.55 92.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.909 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . 0.418 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -64.74 -45.8 84.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.558 HG22 ' HB ' ' A' ' 805' ' ' ILE . 51.2 m -63.75 -45.93 87.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.886 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.489 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 27.8 t-20 -61.75 -39.42 91.54 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.96 98.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.724 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.05 -29.09 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.086 0.469 . . . . 0.0 110.439 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -67.94 -32.95 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.817 177.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -78.1 -37.73 45.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.244 173.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -59.43 -27.02 65.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.05 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -65.97 110.5 2.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.199 178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 76.3 mt -69.65 132.65 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.195 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . 0.676 ' HA ' ' HA3' ' A' ' 796' ' ' GLY . 14.0 ptmm? -64.05 126.41 27.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.361 176.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 52.0 pttt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.085 178.031 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' ILE . . . . . 0.411 ' O ' HG13 ' A' ' 782' ' ' ILE . 10.7 tp -88.67 31.03 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 122.06 0.934 . . . . 0.0 109.857 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 6.8 m-20 -68.93 128.8 92.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.826 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 11.2 Cg_endo -90.16 101.92 0.3 Allowed 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.249 2.633 . . . . 0.0 111.97 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -91.02 153.78 19.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.217 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 6.0 t 48.03 30.93 2.22 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.168 0.987 . . . . 0.0 111.439 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.564 ' HB1' ' HB1' ' A' ' 792' ' ' ALA . . . -68.32 117.53 10.24 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.774 -176.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 792' ' ' ALA . 34.8 p-80 -70.94 129.57 39.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.697 174.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -66.87 148.39 52.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.627 -173.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 24.1 m 68.83 88.99 0.11 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.15 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 99.99 33.53 5.2 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -173.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . 0.564 ' HB1' ' HB1' ' A' ' 787' ' ' ALA . . . -100.53 -174.69 2.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.978 0.418 . . . . 0.0 111.004 -176.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 100.04 -167.45 20.62 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.696 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.463 ' HA ' ' OE1' ' A' ' 800' ' ' GLN . 16.9 Cg_exo -66.86 124.54 12.43 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.555 2.17 . . . . 0.0 111.153 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -57.49 113.0 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . 0.475 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . 66.84 -108.43 2.42 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -172.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -154.79 -53.96 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.688 0.28 . . . . 0.0 110.263 171.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -105.79 -0.77 25.05 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . 0.475 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 4.9 m-20 -68.43 -30.19 69.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.049 -169.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 794' ' ' PRO . 52.6 mt-30 -70.68 -40.17 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 177.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.96 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.669 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.504 HG23 ' HB3' ' A' ' 905' ' ' ALA . 22.1 p -68.94 -35.67 77.07 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.41 -45.7 73.01 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.0 m -59.37 -54.21 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.567 HG23 HD22 ' A' ' 829' ' ' LEU . 80.4 mt -60.5 -48.9 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.24 -48.21 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.3 m -68.7 -45.28 72.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.484 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.679 HG12 HE21 ' A' ' 825' ' ' GLN . 80.2 t -61.91 -35.07 65.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 0.0 110.561 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.766 HG22 ' HB2' ' A' ' 898' ' ' ARG . 85.8 m -67.26 -49.2 65.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.83 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.09 -25.52 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.794 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -70.46 -21.69 62.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.716 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 816' ' ' MET . 19.2 mm -60.59 -49.63 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 109.663 176.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.401 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 40.8 m-85 -64.2 -28.31 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.69 -178.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.0 m -78.08 -31.97 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.1 m -82.84 -11.52 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.489 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.634 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 87.4 mtp -51.42 120.82 5.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.293 0.568 . . . . 0.0 111.263 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.84 -28.18 5.49 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.59 111.0 21.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.423 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.72 -54.24 34.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.844 -172.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.32 -33.27 74.97 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.251 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.1 mm-40 -67.0 -51.8 50.56 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.59 -0.359 . . . . 0.0 110.645 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.634 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.7 mtp -58.25 -43.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.334 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.0 t -63.55 -42.79 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -59.07 -50.08 75.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.679 HE21 HG12 ' A' ' 808' ' ' VAL . 15.6 mm100 -62.23 -34.56 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.41 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 22.2 mtm180 -68.7 -31.75 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 825' ' ' GLN . 69.3 mt -63.31 -41.42 92.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.742 175.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.567 HD22 HG23 ' A' ' 805' ' ' ILE . 48.1 mt -61.9 -45.69 92.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.631 176.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.63 85.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.746 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.46 -53.78 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.778 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.13 97.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.727 -177.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.541 HG21 ' OG1' ' A' ' 867' ' ' THR . 98.2 m -61.21 -40.22 93.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.6 m -63.25 -40.56 97.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.607 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.23 -37.81 84.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.507 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -69.2 -48.65 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.025 -178.568 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.66 HG12 ' HB1' ' A' ' 860' ' ' ALA . 92.2 t -57.47 -41.42 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.582 -177.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.64 -41.71 91.11 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.69 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.56 85.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.845 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 836' ' ' LEU . 73.3 mt -59.77 -49.77 82.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.826 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 98.3 mttt -61.55 -51.51 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.825 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.94 75.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.911 0.386 . . . . 0.0 111.396 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -78.14 -34.3 49.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 0.0 110.175 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.93 99.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.637 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.1 mt-10 -67.33 -34.77 78.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.249 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -73.89 -22.02 78.55 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.437 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.87 129.29 39.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 18.5 m -76.63 -26.24 54.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.498 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.3 109.8 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.88 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.741 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.42 -47.25 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.333 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.24 -36.01 82.68 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 23.5 t -60.49 -49.72 76.44 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -60.45 -47.83 84.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.168 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -60.08 -40.77 90.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.472 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -44.73 88.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.716 0.293 . . . . 0.0 110.553 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.53 -38.49 91.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 51.0 m -66.25 -46.09 78.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.35 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.58 97.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.66 ' HB1' HG12 ' A' ' 837' ' ' VAL . . . -61.72 -39.83 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.747 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.13 -48.89 69.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.481 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.1 -44.2 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.445 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.42 ' HG ' HG22 ' A' ' 833' ' ' THR . 9.7 tp -62.88 -57.77 9.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.311 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 837' ' ' VAL . . . -56.99 -25.86 59.12 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.254 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.49 -40.89 17.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.68 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.26 69.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.541 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.3 m -65.74 -49.36 68.71 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.188 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.62 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.763 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.84 -41.73 98.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.561 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.8 OUTLIER -64.72 -56.23 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.768 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.36 -48.03 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.899 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.81 -28.84 67.11 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.225 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -74.35 -43.36 56.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.88 99.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.964 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -56.41 -38.32 71.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.111 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -80.48 -41.77 11.03 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.47 ' HB2' ' OE1' ' A' ' 887' ' ' GLN . . . -67.54 -34.5 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.151 0.5 . . . . 0.0 111.247 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.423 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -74.06 -62.43 1.51 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.016 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.46 72.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -107.1 80.66 0.85 Allowed Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 169.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.82 -26.38 38.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.469 2.113 . . . . 0.0 112.283 -171.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.19 -30.82 58.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.605 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.402 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.6 m -68.83 104.06 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.543 -174.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.17 -30.08 69.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.131 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.0 -42.97 81.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 110.08 176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.467 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 13.7 mm100 -67.08 -43.45 82.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 17.1 mm-40 -62.09 -44.17 97.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.51 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 25.8 tp60 -60.36 -41.52 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -60.98 -45.57 94.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.339 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 63.8 tp -64.46 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.461 -179.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 891' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.6 mtt180 -48.13 -51.96 22.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.072 0.463 . . . . 0.0 110.693 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -80.51 -34.36 35.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.986 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 893' ' ' ALA . . . . . 0.468 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.28 -48.17 62.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.584 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 894' ' ' ALA . . . . . 0.525 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -70.56 -43.33 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.69 0.281 . . . . 0.0 110.779 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.89 -38.59 89.15 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -62.71 -38.04 95.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.742 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.46 -47.67 83.0 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 898' ' ' ARG . . . . . 0.766 ' HB2' HG22 ' A' ' 809' ' ' THR . 25.0 ttp180 -61.45 -43.92 98.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 178.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -59.73 -47.72 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.846 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.66 96.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.883 0.373 . . . . 0.0 111.037 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 901' ' ' THR . . . . . 0.563 HG21 ' HB ' ' A' ' 805' ' ' ILE . 42.3 m -64.35 -46.52 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.137 0.494 . . . . 0.0 110.688 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 902' ' ' ASN . . . . . 0.444 ' O ' ' HB1' ' A' ' 905' ' ' ALA . 34.4 t-20 -62.27 -41.27 98.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.754 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.55 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.71 -29.5 70.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.289 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 905' ' ' ALA . . . . . 0.504 ' HB3' HG23 ' A' ' 802' ' ' THR . . . -63.91 -36.68 84.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.974 176.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -78.12 -25.36 47.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 111.022 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.17 -15.87 58.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.759 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -59.42 125.83 25.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.756 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 56.6 mt -56.37 126.22 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.88 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -70.82 95.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.518 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.756 -176.876 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.458 ' CZ ' HG12 ' A' ' 840' ' ' ILE . 15.5 m-85 . . . . . 0 CA--C 1.522 -0.12 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.26 -41.0 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.418 -165.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -63.31 -42.11 99.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.715 0.293 . . . . 0.0 110.72 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 801' ' ' ALA . . . . . 0.554 ' HB3' HD21 ' A' ' 836' ' ' LEU . . . -76.95 -40.5 46.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.2 p -65.68 -39.51 91.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.584 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -54.47 -44.94 73.03 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.203 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.8 m -58.79 -54.11 50.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.456 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.693 ' HB ' HG21 ' A' ' 901' ' ' THR . 74.2 mt -60.72 -50.17 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.697 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -55.5 -38.33 69.02 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.607 0.241 . . . . 0.0 111.325 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.6 m -76.74 -50.08 14.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.485 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.589 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 86.3 t -61.07 -32.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.301 -176.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 71.1 m -53.34 -47.58 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.258 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.95 -26.86 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.151 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 89.6 m-20 -67.98 -28.58 67.56 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.473 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.594 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -67.5 -37.02 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.04 0.447 . . . . 0.0 110.382 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -73.71 -28.04 61.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.101 0.476 . . . . 0.0 110.199 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 25.4 t -76.33 -42.74 43.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 31.8 p -80.69 -7.35 59.3 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.708 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.7 ttm -48.02 110.56 0.34 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.41 -32.13 2.88 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 818' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.0 t70 -101.31 110.36 22.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.747 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.76 -52.58 59.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.378 -172.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.72 -46.12 76.36 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.271 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 37.9 tt0 -72.11 -35.51 69.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.949 0.375 . . . . 0.0 111.409 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 81.2 mtp -62.67 -49.83 73.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 111.012 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 875' ' ' LYS . 56.1 t -62.73 -34.92 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 821' ' ' GLU . 40.2 ttm180 -55.19 -47.31 75.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.864 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.594 ' HB2' HG13 ' A' ' 812' ' ' ILE . 72.3 mm-40 -64.3 -40.07 95.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.74 93.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.052 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.1 mtt180 -61.9 -36.05 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.319 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.1 mt -66.43 -43.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.237 177.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.634 HD22 HG23 ' A' ' 805' ' ' ILE . 28.0 mt -60.03 -46.22 90.25 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.772 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.94 -48.09 82.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.47 -49.76 76.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.719 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.08 94.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.479 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.549 HG23 ' HG ' ' A' ' 863' ' ' LEU . 87.9 m -64.44 -36.61 84.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.491 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.2 m -60.13 -36.78 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.61 -47.38 85.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.969 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 801' ' ' ALA . 49.7 mt -68.34 -46.2 70.81 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.213 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 833' ' ' THR . 92.0 t -52.23 -44.17 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.409 . . . . 0.0 111.081 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -76.4 -33.01 58.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.036 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -71.38 -50.66 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.458 HG12 ' CZ ' ' A' ' 798' ' ' TYR . 73.5 mt -54.09 -40.83 47.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.405 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.97 -51.78 68.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.9 77.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.23 -35.81 71.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.251 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.02 96.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.805 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.3 -17.14 63.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.702 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.5 -19.44 62.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.083 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.452 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 5.9 tp10 -72.08 145.46 48.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 11.2 t -97.0 36.87 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.907 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 849' ' ' ASP . . . . . 0.452 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 23.8 t70 -143.71 133.84 24.32 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.026 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.611 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -68.06 -56.09 10.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.486 -178.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -58.68 -45.7 88.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.44 -35.48 81.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.9 t -67.5 -43.49 80.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 854' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 79.8 mtp180 -61.11 -40.14 92.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.376 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.38 -45.59 90.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.12 -48.76 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.67 -38.4 78.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.77 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.8 t -68.53 -43.11 77.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.348 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.58 90.23 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.79 99.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 110.601 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.7 -42.6 97.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.749 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.34 -49.25 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.178 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.549 ' HG ' HG23 ' A' ' 833' ' ' THR . 12.1 tp -57.15 -56.87 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.6 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.93 -29.21 55.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.653 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.86 -37.56 19.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.355 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 866' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.63 -38.6 75.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 7.6 m -68.12 -47.91 66.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.066 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.32 -47.61 78.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.42 -43.03 95.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.633 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.464 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.6 OUTLIER -59.24 -55.78 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.47 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.484 HG12 ' HE3' ' A' ' 875' ' ' LYS . 53.7 t -57.06 -44.92 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.617 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.67 -38.29 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 0.0 111.102 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.98 -40.07 72.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.543 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.89 97.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.56 ' HA ' HG22 ' A' ' 823' ' ' VAL . 96.7 mttt -54.97 -50.09 69.8 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.4 -41.58 77.11 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.871 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 877' ' ' ALA . . . . . 0.524 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.01 -26.66 65.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.88 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -79.55 -61.42 2.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.563 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.4 75.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -106.54 82.03 0.94 Allowed Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.75 -51.49 2.37 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.779 2.319 . . . . 0.0 113.578 -167.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.66 -17.49 59.11 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 61.5 m -59.41 123.76 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.352 0.596 . . . . 0.0 112.186 -174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.43 -54.55 22.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.756 -173.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 889' ' ' ARG . 46.6 mt-10 -59.75 -39.69 85.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.351 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 886' ' ' GLN . . . . . 0.524 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 79.9 mm-40 -60.04 -42.95 95.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.8 mm-40 -65.41 -47.82 74.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.536 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -58.95 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.859 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 885' ' ' GLU . 16.0 ptp180 -62.56 -34.34 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.28 -46.25 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.566 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.9 mtt180 -53.01 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -74.01 -40.95 62.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.457 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.25 -41.55 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.134 -179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 894' ' ' ALA . . . . . 0.464 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -66.73 -43.35 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.945 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 895' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 899' ' ' MET . 44.8 mt-10 -67.58 -35.04 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.491 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.37 98.72 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.512 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.472 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -62.14 -39.26 92.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.85 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -62.83 -45.16 93.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.228 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 899' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 895' ' ' GLU . 26.4 mmt -60.41 -53.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.838 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.33 84.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.524 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.693 HG21 ' HB ' ' A' ' 805' ' ' ILE . 56.8 m -65.64 -45.54 82.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.467 ' HB2' HD11 ' A' ' 806' ' ' LEU . 64.0 t30 -65.6 -31.11 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.2 0.524 . . . . 0.0 110.18 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.45 61.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.649 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.58 -36.82 74.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.025 0.441 . . . . 0.0 110.125 176.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.357 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -75.3 -37.43 60.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.394 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -82.31 -4.97 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.874 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 -178.829 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.499 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 3.8 m-85 . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.57 -23.99 64.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -167.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -73.91 -48.06 33.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.82 76.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.017 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 11.8 p -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.36 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.04 -40.76 59.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 808' ' ' VAL . 66.1 m -69.3 -48.72 60.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.312 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.73 HD12 HD12 ' A' ' 836' ' ' LEU . 65.5 mt -60.97 -45.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.341 -177.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.8 mm? -55.75 -44.73 77.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.644 0.259 . . . . 0.0 110.51 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 807' ' ' THR . . . . . 0.445 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 31.1 m -65.15 -47.14 78.1 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.393 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 804' ' ' THR . 60.1 t -62.63 -35.39 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 110.551 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.44 HG21 ' HB2' ' A' ' 898' ' ' ARG . 95.8 m -58.63 -47.96 82.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 111.145 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 35.9 mt-10 -59.98 -26.51 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.525 ' HB3' HE21 ' A' ' 825' ' ' GLN . 6.3 m-80 -69.89 -23.13 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.798 -175.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.494 ' CG2' HD21 ' A' ' 890' ' ' LEU . 3.0 mp -65.18 -41.99 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.492 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.28 -27.58 65.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.7 m -76.1 -28.35 57.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.313 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 32.1 m -83.83 -3.48 57.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.3 mmt -47.54 124.3 6.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.157 0.503 . . . . 0.0 111.738 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.36 -67.53 0.54 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.782 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -86.02 128.97 34.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.622 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.503 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.44 -53.94 40.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -176.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.41 57.4 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 113.176 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.67 -52.24 64.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 111.254 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.569 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 84.4 mtp -62.99 -45.15 93.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.284 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.581 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 77.3 t -61.18 -41.58 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.459 ' O ' HG13 ' A' ' 828' ' ' ILE . 40.1 ttp180 -59.67 -46.25 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.822 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.525 HE21 ' HB3' ' A' ' 811' ' ' ASN . 10.2 mm100 -62.88 -39.12 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.789 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.85 89.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 18.1 mtp180 -68.54 -38.52 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.212 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 824' ' ' ARG . 72.9 mt -62.63 -41.91 94.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.977 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.9 -45.96 85.65 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.626 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.06 91.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -66.56 -49.04 67.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.36 96.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.281 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.508 HG21 ' OG1' ' A' ' 867' ' ' THR . 80.3 m -66.72 -34.77 78.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 22.6 t -60.7 -40.0 90.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.096 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.11 -42.71 95.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.28 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.73 HD12 HD12 ' A' ' 805' ' ' ILE . 4.5 mt -71.04 -49.07 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.674 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 833' ' ' THR . 85.4 t -53.65 -46.66 61.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 0.0 111.267 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -64.49 -39.02 93.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.919 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -70.05 -43.99 70.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.6 mt -58.97 -48.09 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.715 0.293 . . . . 0.0 110.785 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.04 -40.44 93.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.753 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.44 74.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.156 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.31 -31.39 65.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 844' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -64.72 -35.51 81.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.891 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.32 -38.07 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 110.134 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.5 -33.45 64.0 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.29 116.82 3.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.867 0.365 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.3 m -72.99 -23.78 60.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.739 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 849' ' ' ASP . . . . . 0.442 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 11.9 t70 -75.32 123.77 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.015 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 850' ' ' LEU . 1.3 tm? -68.38 -50.72 51.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.407 -173.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.442 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 8.8 pt-20 -65.42 -37.63 87.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.517 -176.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 49.8 t30 -71.53 -31.2 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.947 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 t -63.07 -49.62 73.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.178 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.391 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.25 -48.99 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.645 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 844' ' ' ALA . 92.7 mt -60.81 -47.95 83.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.909 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.09 -38.43 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 28.7 m -66.3 -38.73 88.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.81 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.44 88.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.873 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.18 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.94 -44.87 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.3 -57.25 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.564 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.64 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.873 0.368 . . . . 0.0 111.441 -174.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -85.38 -34.96 21.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.15 72.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.934 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.508 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.1 m -69.79 -45.68 67.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.789 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.56 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -68.93 -34.42 75.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.381 . . . . 0.0 110.394 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.516 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.8 tpt -63.86 -48.45 76.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.57 176.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 867' ' ' THR . 55.5 t -59.6 -42.56 88.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.109 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.77 -37.85 87.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.324 . . . . 0.0 111.056 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 873' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -68.28 -45.36 73.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.57 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.74 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.934 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -54.79 -50.91 67.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.854 0.359 . . . . 0.0 110.763 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.61 -42.49 80.39 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.81 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.61 -30.3 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.989 0.423 . . . . 0.0 111.223 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -81.23 -62.93 1.52 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.77 71.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.266 -174.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -106.99 78.86 0.62 Allowed Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.67 -35.97 26.64 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.535 2.156 . . . . 0.0 112.547 -169.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.55 -6.86 53.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.829 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.55 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 14.5 t -83.86 99.16 10.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.927 0.394 . . . . 0.0 110.407 -177.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.74 -29.76 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.9 OUTLIER -64.42 -40.72 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -64.92 -36.33 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.993 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 883' ' ' SER . 68.2 mm-40 -62.73 -41.54 99.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 110.043 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -65.24 -41.7 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.585 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 89.3 mtt180 -57.81 -43.76 85.92 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.078 0.466 . . . . 0.0 110.272 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 812' ' ' ILE . 58.6 tp -64.21 -41.12 97.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.952 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 80.8 mtp180 -54.1 -52.22 61.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.051 0.453 . . . . 0.0 110.487 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.89 -37.48 79.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.384 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.02 -44.29 73.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.569 0.223 . . . . 0.0 111.283 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.19 93.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.05 -42.75 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.382 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.64 -46.93 90.97 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.401 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.28 -45.14 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.311 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.44 ' HB2' HG21 ' A' ' 809' ' ' THR . 54.1 ttt180 -59.18 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.119 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.18 -45.14 94.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.096 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.28 86.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.05 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.459 HG21 ' CG2' ' A' ' 805' ' ' ILE . 33.4 m -65.59 -46.75 78.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.987 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 36.0 t-20 -60.88 -38.58 86.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.249 0.547 . . . . 0.0 109.761 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -68.54 -43.76 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.812 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.09 70.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -60.64 -37.47 81.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.707 175.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 906' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 62.8 mm-40 -74.19 -23.74 59.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.14 -6.52 39.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 177.153 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.636 ' OH ' ' HB3' ' A' ' 843' ' ' ASP . 4.4 m-85 . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.83 -34.75 76.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.261 -165.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -72.53 -46.24 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.47 91.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.235 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 15.7 p -62.9 -53.3 56.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.99 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -50.7 -42.95 57.6 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.362 0.414 . . . . 0.0 110.672 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 808' ' ' VAL . 88.3 m -56.75 -53.14 61.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.702 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.876 HD12 HD12 ' A' ' 836' ' ' LEU . 67.2 mt -58.31 -45.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.0 OUTLIER -53.12 -50.37 64.61 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.765 0.317 . . . . 0.0 110.633 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.1 m -64.69 -47.6 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 804' ' ' THR . 99.1 t -59.57 -39.69 80.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 88.7 m -55.13 -48.19 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.23 0.538 . . . . 0.0 111.411 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 37.3 mt-10 -62.01 -25.72 67.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.714 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.33 -25.69 62.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.602 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -64.19 -35.92 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.136 0.493 . . . . 0.0 110.267 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -68.13 -27.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.183 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.8 m -78.18 -26.3 47.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.311 175.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 50.6 m -81.18 -4.56 55.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.8 mmt -49.32 109.76 0.3 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.762 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.03 -25.7 5.46 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.707 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 818' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.4 t70 -117.8 106.63 13.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.448 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.33 -48.62 77.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.564 -174.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.01 -47.23 60.37 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 113.203 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.419 ' HG3' ' NH1' ' A' ' 824' ' ' ARG . 36.3 tt0 -68.85 -37.18 78.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.989 0.394 . . . . 0.0 111.489 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 92.2 mtp -58.42 -43.75 88.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.353 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 60.9 t -69.89 -36.17 68.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.445 ' O ' HG13 ' A' ' 828' ' ' ILE . 28.9 ttm180 -55.67 -51.93 65.59 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.602 ' HB2' HG13 ' A' ' 812' ' ' ILE . 86.1 mm-40 -63.19 -36.15 82.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.125 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.99 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.853 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.3 mtt180 -61.96 -39.1 90.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.998 0.427 . . . . 0.0 110.266 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 824' ' ' ARG . 62.8 mt -62.36 -41.93 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.355 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.492 HD22 HG23 ' A' ' 805' ' ' ILE . 28.8 mt -60.05 -46.22 90.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.088 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.47 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.86 -37.51 87.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.247 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.69 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.534 HG21 ' OG1' ' A' ' 867' ' ' THR . 86.1 m -62.62 -36.63 83.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 95.2 p -61.47 -47.81 83.99 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.387 0.613 . . . . 0.0 109.858 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.83 -34.28 76.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.875 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.876 HD12 HD12 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -63.45 -46.68 85.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.18 178.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 833' ' ' THR . 84.2 t -56.93 -35.42 47.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -59.59 -50.5 73.66 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.921 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 860' ' ' ALA . 69.6 mt -60.28 -51.01 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.813 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.83 -46.31 89.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.976 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.49 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 843' ' ' ASP . . . . . 0.636 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.7 t70 -78.42 -29.84 47.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.038 0.447 . . . . 0.0 110.071 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.23 85.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.6 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -74.6 -26.35 67.76 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.58 146.99 42.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 22.3 m -101.33 -20.71 15.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -77.95 114.86 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.3 OUTLIER -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.653 -174.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 855' ' ' LYS . 66.3 t30 -66.71 -32.06 73.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.085 0.469 . . . . 0.0 109.924 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.0 m -63.12 -44.2 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.845 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 854' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 48.5 mtp180 -63.2 -37.34 86.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 855' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 852' ' ' ASN . 22.7 ttmm -54.33 -52.47 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.48 -48.71 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.139 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.66 -48.06 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.562 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 16.3 t -63.14 -38.87 92.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.92 95.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 840' ' ' ILE . . . -63.4 -34.88 78.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.001 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -72.28 -44.16 63.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.8 -44.16 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.167 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 8.0 tp -60.02 -58.08 10.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.446 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -55.91 -31.95 63.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.1 0.476 . . . . 0.0 111.46 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.87 -31.45 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.221 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 866' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -62.47 -36.89 83.91 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.534 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.7 m -64.86 -48.72 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.31 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.77 77.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.336 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.08 -36.05 81.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -51.33 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.956 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 867' ' ' THR . 58.9 t -57.9 -46.97 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.31 -39.0 81.65 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 873' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -70.89 -44.02 67.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.762 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.13 -47.02 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -56.1 -45.64 79.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.601 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.21 56.17 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.929 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -67.26 -27.71 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -83.73 -66.75 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.038 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.554 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 -174.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -106.42 83.03 1.08 Allowed Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 11.8 Cg_exo -69.51 -29.61 24.77 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.698 2.265 . . . . 0.0 112.146 -172.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.16 -22.55 55.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.386 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -66.46 111.94 3.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.52 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -72.67 -39.97 66.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.968 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.8 OUTLIER -66.28 -33.02 74.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.827 -176.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.8 mm-40 -68.73 -42.48 77.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.579 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.05 -48.67 77.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.578 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.6 mtt180 -57.87 -43.65 86.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.476 ' HA ' ' HB1' ' A' ' 873' ' ' ALA . 52.3 tp -62.49 -46.29 89.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.3 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -56.33 -48.96 75.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.877 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.256 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.89 81.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.13 80.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.105 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.91 -30.78 69.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.27 -43.01 90.0 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -62.85 -44.58 95.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -57.49 -46.84 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.804 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 45.2 ttp -62.33 -46.05 90.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.343 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.5 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 111.303 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 805' ' ' ILE . 22.5 m -65.02 -44.17 90.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.503 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 906' ' ' GLN . 25.6 t-20 -58.6 -38.34 77.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.069 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.52 87.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.032 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.75 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.224 0.535 . . . . 0.0 110.348 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -65.45 -34.91 79.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 906' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 902' ' ' ASN . 76.3 mt-30 -76.31 -43.04 43.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.34 -22.6 66.84 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.295 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.58 173.3 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.732 0.301 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.06 -33.09 74.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.83 -50.64 63.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.11 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.541 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.701 HG22 HD11 ' A' ' 836' ' ' LEU . 21.6 p -62.71 -41.94 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -51.67 -41.89 61.72 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.0 m -58.56 -51.07 71.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 836' ' ' LEU . 43.5 mt -66.05 -50.85 66.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.763 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.6 mm? -52.98 -41.21 64.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 807' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 88.6 m -71.05 -52.81 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.675 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.467 HG11 ' HB ' ' A' ' 828' ' ' ILE . 87.8 t -63.96 -36.2 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.629 HG21 ' HB2' ' A' ' 898' ' ' ARG . 98.3 m -55.2 -54.11 47.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 807' ' ' THR . 11.4 pt-20 -62.28 -25.33 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.845 0.355 . . . . 0.0 110.679 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -67.54 -21.52 65.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.713 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.58 -33.07 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.26 0.552 . . . . 0.0 109.963 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -75.57 -27.37 58.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.691 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.3 m -76.62 -37.73 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.8 p -82.84 -4.57 58.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.355 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.535 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -51.94 107.73 0.22 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.608 0.568 . . . . 0.0 110.824 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.11 -30.4 3.06 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -98.97 114.04 26.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.568 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -52.2 59.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.871 -173.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.25 97.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.401 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 31.1 tt0 -73.33 -38.16 65.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.72 -0.283 . . . . 0.0 111.651 -174.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.535 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 86.6 mtp -60.14 -44.25 95.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 875' ' ' LYS . 59.9 t -65.54 -39.06 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.952 0.406 . . . . 0.0 110.2 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 824' ' ' ARG . 21.4 ttt180 -58.57 -45.85 88.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.833 176.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 86.0 mm-40 -60.15 -38.93 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.3 86.24 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 98.4 mtt180 -61.06 -39.64 90.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.467 ' HB ' HG11 ' A' ' 808' ' ' VAL . 53.8 mt -64.91 -43.14 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.089 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.42 HD22 HG23 ' A' ' 805' ' ' ILE . 67.6 mt -60.97 -41.91 97.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.73 -50.25 72.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.686 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -62.23 -49.88 73.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.51 91.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.373 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.563 ' HA ' HD11 ' A' ' 805' ' ' ILE . 97.0 m -63.53 -37.5 87.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.531 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 25.0 m -61.62 -48.6 80.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.058 0.456 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.83 -42.73 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.865 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 805' ' ' ILE . 0.6 OUTLIER -63.52 -53.06 57.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.683 -178.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 864' ' ' ALA . 79.7 t -56.85 -44.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.8 -36.78 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.736 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.48 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.903 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.3 mt -63.85 -49.86 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 67.7 mttm -55.19 -43.31 74.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.885 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.63 96.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.343 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -78.06 -27.59 48.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 110.723 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.95 -23.75 66.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 110.368 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 845' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 13.4 mm-40 -71.75 -21.24 61.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.855 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -80.72 -9.05 86.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.84 131.23 42.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 0.0 110.2 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 38.9 m -91.06 -11.65 38.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -80.41 111.32 16.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.76 -42.6 93.62 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.209 0.318 . . . . 0.0 111.584 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.68 -38.61 83.95 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 121.065 0.459 . . . . 0.0 110.041 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -72.32 -33.88 67.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.188 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 47.3 m -61.28 -51.5 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.078 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -67.56 -25.52 65.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.748 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -63.42 -51.69 64.7 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 109.996 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.16 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.379 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.6 mt -61.71 -36.96 82.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.132 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 66.6 m -65.2 -43.78 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.397 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.87 88.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.698 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -65.46 -41.46 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.096 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -68.32 -41.15 81.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.68 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.04 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.124 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.55 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -60.0 -57.81 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.743 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.727 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.11 -26.71 50.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.254 0.55 . . . . 0.0 111.374 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.1 -35.0 22.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.697 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.73 72.99 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.464 ' OG1' HG21 ' A' ' 833' ' ' THR . 6.2 m -68.6 -41.39 79.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.244 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.98 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.671 0.272 . . . . 0.0 110.494 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 869' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 893' ' ' ALA . 24.7 ttmm -57.89 -47.16 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.439 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.3 tpt -54.44 -55.14 31.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.293 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.9 t -57.9 -49.28 81.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.426 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.62 -45.91 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 111.228 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.64 83.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.98 -46.76 87.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.661 ' HA ' HG22 ' A' ' 823' ' ' VAL . 54.3 mtpt -59.59 -37.99 80.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 111.231 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -75.76 -44.95 18.56 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.694 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.39 -31.46 70.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -72.28 -63.84 1.07 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.376 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.497 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -55.83 -41.09 73.74 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.537 0.523 . . . . 0.0 111.55 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.35 88.96 3.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.9 Cg_exo -57.61 -44.14 44.34 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.866 2.378 . . . . 0.0 112.997 -170.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -76.99 -2.54 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -173.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 81.3 p -71.54 92.16 1.11 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.594 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.79 -28.53 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.76 -47.04 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.48 -34.65 77.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 883' ' ' SER . 81.4 mm-40 -60.84 -45.47 94.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.437 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -69.76 -39.3 76.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.507 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -60.75 -39.61 89.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.267 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.05 -39.25 93.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -65.8 -25.28 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.311 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -80.87 -47.57 13.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.532 . . . . 0.0 110.472 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 869' ' ' LYS . . . -67.25 -51.65 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.346 -174.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 0.0 111.301 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.11 -35.6 74.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.727 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.26 97.04 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.361 173.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.37 -46.15 89.92 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.629 ' HB2' HG21 ' A' ' 809' ' ' THR . 63.5 ttp85 -60.21 -47.94 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.637 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -61.11 -48.83 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.442 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.91 87.97 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.575 HG21 ' HB ' ' A' ' 805' ' ' ILE . 64.0 m -63.65 -49.17 74.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.169 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.73 -40.46 88.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 0.0 109.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 903' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -62.73 -48.98 76.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.58 75.74 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -56.88 -53.43 57.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.121 177.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -78.93 -23.05 44.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.826 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 907' ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 8.3 t-20 -69.08 -15.86 63.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.027 0.441 . . . . 0.0 110.466 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.671 -179.293 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.46 ' OH ' ' HB2' ' A' ' 843' ' ' ASP . 26.6 m-85 . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.44 -41.81 84.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.99 -46.22 71.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.515 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.836 HG21 ' HB2' ' A' ' 905' ' ' ALA . 43.1 p -69.21 -37.23 77.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.193 -178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.64 -45.23 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.022 0.439 . . . . 0.0 110.054 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 808' ' ' VAL . 30.0 m -61.36 -55.41 31.92 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.632 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.7 HG23 HD22 ' A' ' 829' ' ' LEU . 88.0 mt -56.0 -51.29 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.395 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.4 mp -52.1 -48.74 64.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -70.44 -42.99 70.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.47 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.482 ' O ' HD12 ' A' ' 812' ' ' ILE . 93.2 t -65.14 -36.69 78.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 122.211 -0.306 . . . . 0.0 110.619 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.577 ' HA ' HD13 ' A' ' 812' ' ' ILE . 81.5 m -56.01 -54.65 42.34 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.778 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.23 -25.58 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 0.0 109.897 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.6 -20.82 61.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.905 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 809' ' ' THR . 1.7 mp -58.19 -42.97 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.5 -34.85 78.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.3 m -73.42 -30.32 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.2 m -83.4 -3.59 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.661 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.579 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 82.6 mtp -58.55 103.83 0.18 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.303 0.573 . . . . 0.0 111.359 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.12 -46.95 0.45 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 818' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.0 t70 -99.0 117.35 33.32 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.447 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.91 -54.54 33.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.445 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.22 -38.58 78.27 Favored Glycine 0 CA--C 1.521 0.443 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.958 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 35.1 tt0 -69.2 -33.96 74.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -178.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 77.3 mtp -66.0 -40.97 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.514 176.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 875' ' ' LYS . 59.4 t -68.08 -33.89 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.187 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.432 ' O ' HG13 ' A' ' 828' ' ' ILE . 51.6 ttp180 -53.25 -48.11 68.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.33 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.5 -42.89 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.368 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.0 84.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.049 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 88.6 mtt180 -64.12 -38.37 90.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.469 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 824' ' ' ARG . 66.6 mt -63.56 -46.38 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.7 HD22 HG23 ' A' ' 805' ' ' ILE . 79.7 mt -61.53 -43.97 97.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.167 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.72 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.772 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -67.2 -49.41 64.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.12 97.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.588 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 837' ' ' VAL . 98.7 m -62.24 -32.41 73.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.02 0.438 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.1 m -61.07 -38.0 84.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.085 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.81 -40.48 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 110.419 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 49.3 mt -64.34 -45.45 87.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 833' ' ' THR . 88.3 t -55.61 -40.96 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.71 0.291 . . . . 0.0 110.695 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.28 -45.7 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.194 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.65 -52.42 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.9 -42.08 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.535 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.89 -41.37 95.92 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.897 0.379 . . . . 0.0 110.935 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.52 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.077 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 843' ' ' ASP . . . . . 0.514 ' HB3' HD13 ' A' ' 856' ' ' LEU . 4.8 t70 -62.67 -40.98 98.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 844' ' ' ALA . . . . . 0.478 ' HB2' ' HB2' ' A' ' 856' ' ' LEU . . . -64.07 -22.74 67.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.582 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.52 -26.08 38.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -121.63 25.74 6.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.483 -173.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 179.3 3.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.267 0.556 . . . . 0.0 111.627 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 17.7 m -128.9 23.31 5.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.003 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.68 130.9 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.162 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -41.68 85.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.733 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.37 -39.49 93.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -58.36 -43.8 88.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.343 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 6.2 t -61.55 -42.42 98.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 854' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 854' ' ' ARG . 58.6 mtt180 -68.61 -46.33 69.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.14 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -56.45 -50.44 71.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.253 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 843' ' ' ASP . 56.2 mt -62.27 -49.8 74.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.376 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.62 -30.16 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.204 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 m -73.24 -46.11 52.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.37 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.39 97.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.257 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -65.55 -49.67 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.81 -44.78 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.35 -58.13 9.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.362 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.99 -25.64 58.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.199 0.523 . . . . 0.0 111.028 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -85.2 -43.57 13.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.682 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 866' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.31 -34.73 69.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 109.841 175.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 871' ' ' VAL . 8.3 m -66.16 -54.69 22.26 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.868 176.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.2 76.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -63.61 -41.39 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.472 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 6.0 ptm -80.44 -26.82 38.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.831 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 867' ' ' THR . 55.7 t -64.98 -50.07 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.63 -34.03 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.076 0.465 . . . . 0.0 110.708 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 873' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -66.96 -45.27 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.68 83.0 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 823' ' ' VAL . 9.0 mtpm? -57.55 -44.38 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.9 -42.2 79.31 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.716 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 877' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -71.12 -29.3 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.243 0.544 . . . . 0.0 111.062 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.447 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -76.45 -60.92 2.13 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.563 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -61.15 -33.69 73.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 -176.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.98 84.5 1.6 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.3 Cg_exo -69.11 -36.82 11.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.957 2.438 . . . . 0.0 112.386 -172.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -77.32 -28.91 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.628 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 36.4 m -65.89 103.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.286 -176.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.34 -25.07 62.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.325 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.88 -38.22 87.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.267 0.556 . . . . 0.0 109.626 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 886' ' ' GLN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 16.0 mm100 -69.57 -37.92 77.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.2 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 883' ' ' SER . 61.9 mm-40 -64.93 -41.23 95.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.011 177.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.0 -51.59 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.998 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.229 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 812' ' ' ILE . 47.2 tp -59.68 -54.02 51.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.951 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 895' ' ' GLU . 49.7 mtm180 -58.04 -45.07 87.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.245 0.341 . . . . 0.0 111.195 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.73 -48.51 78.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.116 0.484 . . . . 0.0 111.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.7 -41.01 61.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -174.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.91 92.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.648 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 895' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 44.0 mt-10 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.807 0.337 . . . . 0.0 110.436 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.24 -33.75 74.01 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.56 -0.828 . . . . 0.0 111.905 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.404 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.4 tm? -66.44 -41.61 88.87 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -57.36 -44.84 84.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.662 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -52.47 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.312 175.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.14 77.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.005 0.431 . . . . 0.0 111.446 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.52 HG21 ' HB ' ' A' ' 805' ' ' ILE . 35.2 m -65.4 -49.97 67.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 36.1 t-20 -60.23 -41.64 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.52 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -57.81 -35.88 71.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.836 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -58.13 -45.24 87.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.069 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.44 -31.94 62.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.753 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -66.42 -30.47 70.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 179.358 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.14 -27.68 67.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -166.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -72.52 -45.68 58.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.305 0.574 . . . . 0.0 109.882 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 801' ' ' ALA . . . . . 0.562 ' HB3' HD21 ' A' ' 836' ' ' LEU . . . -73.6 -38.89 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.245 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 32.4 p -63.98 -48.36 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.841 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.87 -35.22 66.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.972 0.415 . . . . 0.0 110.071 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 808' ' ' VAL . 47.9 m -59.67 -54.33 47.63 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.126 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.686 HD12 HD12 ' A' ' 836' ' ' LEU . 68.1 mt -58.5 -48.93 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.012 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.454 HD12 ' HG3' ' A' ' 898' ' ' ARG . 1.3 mm? -53.14 -47.63 68.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 38.8 m -68.19 -39.86 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.669 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 804' ' ' THR . 85.3 t -66.11 -40.03 86.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.101 177.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.422 HG21 ' HB2' ' A' ' 898' ' ' ARG . 97.0 m -55.54 -55.23 34.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.886 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.96 -25.74 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -71.43 -21.57 61.96 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.417 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.1 mp -60.7 -39.19 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.29 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -70.44 -27.73 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.4 t -78.17 -25.43 47.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 109.702 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.2 m -83.11 -3.32 57.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.078 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 12.3 mmt -51.44 105.94 0.12 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.07 -30.27 3.55 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.64 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.48 104.15 14.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.557 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.89 -50.82 67.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.494 -173.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.77 79.05 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.891 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.3 -45.88 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.988 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.598 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 87.3 mtp -59.18 -40.0 84.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.7 -36.04 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.687 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 828' ' ' ILE . 22.6 ttp180 -69.51 -47.7 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.347 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.306 0.379 . . . . 0.0 110.891 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.96 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 827' ' ' ARG . 50.7 mtm180 -72.16 -27.5 62.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.5 mt -69.5 -40.35 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.536 HD22 HG23 ' A' ' 805' ' ' ILE . 59.3 mt -59.49 -48.19 82.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.341 174.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.537 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -55.68 -42.29 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -63.36 -50.9 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.998 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.87 -45.18 87.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.344 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.664 HG23 ' HG ' ' A' ' 863' ' ' LEU . 19.6 m -56.46 -38.87 72.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.3 m -65.48 -33.42 75.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.77 -37.33 73.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 110.087 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.686 HD12 HD12 ' A' ' 805' ' ' ILE . 12.5 mt -70.95 -39.19 72.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.51 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 833' ' ' THR . 74.4 t -55.57 -42.68 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 110.362 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -67.83 -49.17 63.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.494 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.35 -51.73 68.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.884 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.14 -42.65 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.934 0.397 . . . . 0.0 110.709 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 40.7 ttmt -62.17 -44.42 96.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.725 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.262 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.43 -34.23 70.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 0.0 109.843 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.643 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 845' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 28.1 mm-40 -66.43 -26.07 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -85.06 -15.64 66.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.299 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 7.8 tp10 -79.83 131.18 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.422 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 21.0 t -86.92 -13.24 45.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.145 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 849' ' ' ASP . . . . . 0.423 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 14.9 t70 -86.82 118.47 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -41.12 87.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.254 -175.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.58 -47.55 85.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.469 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -66.34 -40.42 89.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.987 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.432 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 13.4 p -68.31 -37.76 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.383 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -66.27 -35.73 81.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.39 -41.41 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.073 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.78 -47.57 77.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 853' ' ' SER . 82.8 mt -59.96 -46.12 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.554 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.419 ' O ' HG13 ' A' ' 862' ' ' ILE . 23.1 p -66.72 -41.37 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.99 89.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.79 0.329 . . . . 0.0 110.965 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.94 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.46 -42.11 75.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.606 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 858' ' ' SER . 75.0 mt -59.66 -46.51 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.032 175.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' A' ' 833' ' ' THR . 12.0 tp -56.06 -53.1 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.348 177.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.51 59.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.602 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -85.1 -42.41 14.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.349 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.92 64.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.135 0.493 . . . . 0.0 110.166 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 830' ' ' ALA . 24.8 m -72.49 -45.87 57.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.918 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 872' ' ' GLU . . . -57.22 -47.28 81.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.458 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.0 -46.01 89.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.208 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 12.6 tpt -57.82 -50.24 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.345 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.21 -49.28 85.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.558 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 868' ' ' ALA . 77.7 mt-10 -60.83 -34.93 75.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.44 . . . . 0.0 110.791 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 873' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -70.94 -46.95 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.58 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -56.77 -43.93 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -76.02 -39.81 31.74 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.83 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 111.183 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -83.96 -64.89 1.08 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.111 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.53 73.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -107.64 82.81 1.42 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.84 -25.25 53.12 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.65 2.233 . . . . 0.0 112.853 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.8 -25.76 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.685 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.527 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -67.01 99.15 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.763 -174.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.17 -37.41 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.717 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 36.3 mm-40 -63.46 -38.92 93.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.26 -35.09 79.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.559 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 71.2 mm-40 -60.91 -48.43 81.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 892' ' ' GLU . 55.5 tp60 -64.05 -42.3 97.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.3 mtt180 -56.32 -40.19 73.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.303 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.573 ' HA ' ' HB1' ' A' ' 873' ' ' ALA . 57.4 tp -68.87 -39.54 79.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.071 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.5 mtp180 -57.57 -56.27 24.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.737 0.304 . . . . 0.0 110.954 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 892' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 888' ' ' GLN . 7.7 pt-20 -67.59 -32.31 72.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.417 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.86 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.02 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.22 -38.37 90.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.322 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.23 -43.63 88.5 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.741 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -45.32 94.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 109.986 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.454 ' HG3' HD12 ' A' ' 806' ' ' LEU . 61.2 ttp180 -58.77 -49.25 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.365 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 49.2 ttm -60.62 -47.35 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.213 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.52 88.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.978 0.418 . . . . 0.0 110.888 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.546 HG21 ' HB ' ' A' ' 805' ' ' ILE . 26.5 m -67.39 -43.3 81.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.91 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 24.7 t-20 -60.89 -39.85 90.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.373 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.92 -45.14 83.0 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.698 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.4 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -60.85 -43.66 98.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 175.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -75.66 -25.07 56.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.36 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -79.65 -6.7 57.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.596 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 179.08 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 908' ' ' ALA . 88.3 m-85 . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.49 -31.87 72.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.009 0.368 . . . . 0.0 111.362 -172.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -68.97 -38.25 79.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.942 0.401 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.77 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.198 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.873 HG21 ' HB2' ' A' ' 905' ' ' ALA . 43.7 p -67.11 -36.26 81.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.315 -176.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -50.18 -43.97 52.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 111.204 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 808' ' ' VAL . 61.1 m -62.12 -51.3 68.47 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.639 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.871 HD12 HD12 ' A' ' 836' ' ' LEU . 69.2 mt -63.56 -49.06 84.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.919 -176.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 902' ' ' ASN . 1.1 mm? -52.46 -44.82 65.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.9 m -74.92 -46.66 34.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -176.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 70.8 t -60.44 -33.94 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.581 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 898' ' ' ARG . 55.3 m -53.82 -52.0 61.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.021 0.439 . . . . 0.0 111.205 176.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -64.51 -25.25 67.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 94.4 m-20 -64.62 -24.13 67.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.716 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.33 -36.67 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 813' ' ' PHE . . . . . 0.419 ' HZ ' ' HB3' ' A' ' 894' ' ' ALA . 98.8 m-85 -73.24 -33.54 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 35.8 t -71.71 -36.81 70.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.272 0.558 . . . . 0.0 110.2 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.4 m -83.58 -2.85 56.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.584 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.3 ttm -54.49 114.58 1.72 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.226 0.536 . . . . 0.0 111.239 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.89 -27.71 3.82 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.231 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -104.23 117.64 34.73 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.731 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.95 -58.61 6.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.771 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.4 62.99 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 113.457 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -66.8 -47.31 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.771 0.285 . . . . 0.0 111.038 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.0 mtp -59.29 -42.97 92.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.051 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 875' ' ' LYS . 88.0 t -65.63 -40.79 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 178.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.455 ' O ' HG13 ' A' ' 828' ' ' ILE . 8.9 tpt180 -60.81 -45.49 94.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.433 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.7 -40.64 97.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.06 83.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.147 0.499 . . . . 0.0 110.956 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 80.0 mtp180 -68.96 -35.49 76.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.484 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.8 mt -65.1 -38.24 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.906 175.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.43 HD22 HG23 ' A' ' 805' ' ' ILE . 37.9 mt -59.17 -47.55 84.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.78 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -61.13 -50.33 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.553 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.52 94.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.456 HG21 ' OG1' ' A' ' 867' ' ' THR . 89.0 m -62.6 -35.53 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.57 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 24.2 t -63.6 -48.9 75.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.053 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.58 -32.57 73.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -67.34 -51.13 56.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.59 176.136 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' A' ' 864' ' ' ALA . 71.1 t -56.54 -42.2 75.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.912 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.171 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.45 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.39 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 836' ' ' LEU . 83.8 mt -58.35 -51.98 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.94 -42.72 94.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.434 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.9 85.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.972 -177.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.69 -34.54 60.42 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.69 87.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.286 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.97 -23.88 62.3 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.829 0.347 . . . . 0.0 110.21 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -79.25 -24.76 60.62 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.59 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.11 135.61 52.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 63.1 m -85.62 -18.81 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.031 0.443 . . . . 0.0 110.624 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 849' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 851' ' ' GLU . 4.7 t70 -86.83 102.46 14.32 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -33.98 69.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -175.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.406 ' HB2' ' OD2' ' A' ' 849' ' ' ASP . 2.0 mp0 -58.58 -51.74 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.432 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -65.04 -37.59 88.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.137 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 56.9 m -57.2 -48.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 854' ' ' ARG . 62.4 mtt180 -62.03 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.074 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.3 -45.1 88.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.499 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.07 -49.78 70.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.643 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.2 mt -56.13 -40.49 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 39.0 m -67.81 -39.64 83.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.37 -31.46 72.63 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.627 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.37 -43.94 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 861' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 11.2 tmtt? -64.55 -43.06 95.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.648 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.58 -48.69 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.08 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.536 ' HA ' ' HB1' ' A' ' 900' ' ' ALA . 7.2 tp -63.24 -57.89 8.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.7 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.644 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -57.1 -23.6 48.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.301 0.572 . . . . 0.0 111.078 -176.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 865' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.7 OUTLIER -80.36 -35.77 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.41 -177.239 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.92 67.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.456 ' OG1' HG21 ' A' ' 833' ' ' THR . 3.0 m -66.04 -44.19 85.34 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.192 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.19 80.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.71 0.291 . . . . 0.0 111.124 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -67.04 -43.99 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.449 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.62 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.5 tpt -57.56 -50.0 74.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.085 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 52.8 t -60.75 -48.66 87.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.249 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.32 -37.45 87.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 111.431 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.9 -48.43 68.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.466 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.37 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.652 ' HA ' HG22 ' A' ' 823' ' ' VAL . 53.3 mtpt -56.92 -48.86 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.289 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -73.28 -40.33 49.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.834 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 877' ' ' ALA . . . . . 0.451 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.88 -25.86 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.06 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -78.16 -58.06 3.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.547 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.546 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.69 -36.91 72.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.063 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -106.71 82.75 1.09 Allowed Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.546 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.4 Cg_exo -63.96 -51.16 2.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.096 2.531 . . . . 0.0 113.56 -166.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.53 -8.06 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.094 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 47.6 m -70.99 104.58 3.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.449 . . . . 0.0 111.218 -177.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.5 -28.81 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.072 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 885' ' ' GLU . 14.0 mp0 -60.94 -40.09 91.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.263 0.554 . . . . 0.0 109.779 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 886' ' ' GLN . . . . . 0.451 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 15.1 mm100 -73.13 -38.79 66.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.917 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.0 mm-40 -64.14 -37.37 87.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.842 0.353 . . . . 0.0 110.164 178.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.75 -49.02 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.92 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -64.93 -43.63 92.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.94 -41.54 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 891' ' ' ARG . 38.5 mtm180 -58.63 -38.2 77.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.54 0.21 . . . . 0.0 111.277 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.71 -47.84 36.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.854 0.359 . . . . 0.0 110.645 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -59.9 -44.31 94.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.82 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 894' ' ' ALA . . . . . 0.419 ' HB3' ' HZ ' ' A' ' 813' ' ' PHE . . . -68.08 -46.91 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.398 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -64.09 -33.44 75.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.678 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.65 -47.27 69.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.802 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.3 -44.48 97.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.243 0.544 . . . . 0.0 109.617 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.425 ' HB2' HG21 ' A' ' 809' ' ' THR . 77.4 ttt180 -53.88 -47.85 70.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.271 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.5 ttp -65.9 -48.94 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.997 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 900' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -58.95 -40.23 84.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.82 0.343 . . . . 0.0 111.247 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.556 HG21 ' HB ' ' A' ' 805' ' ' ILE . 79.8 m -65.34 -54.5 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 177.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.646 ' HB2' HD11 ' A' ' 806' ' ' LEU . 56.7 t30 -61.68 -35.12 77.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.704 -177.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.17 83.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.8 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.36 0.6 . . . . 0.0 109.472 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.873 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -68.4 -26.72 65.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.065 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 906' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 28.8 mm-40 -77.13 -25.1 51.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.107 0.479 . . . . 0.0 110.363 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -77.65 -5.25 49.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.477 ' HA ' ' CD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--O 1.234 0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.353 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.426 ' HD2' ' HB2' ' A' ' 908' ' ' ALA . 32.4 m-85 . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 121.584 0.707 . . . . 0.0 109.103 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.22 -35.15 77.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.486 -166.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -68.9 -43.24 75.65 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.29 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.44 74.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.88 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.5 p -66.03 -38.9 89.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.752 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -56.89 -46.15 82.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 808' ' ' VAL . 31.8 m -60.3 -56.11 25.47 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.645 ' HB ' HG21 ' A' ' 901' ' ' THR . 84.3 mt -57.61 -49.27 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.203 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.37 -42.85 74.52 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 33.3 m -74.81 -39.84 61.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.584 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 804' ' ' THR . 80.5 t -67.92 -37.79 78.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.253 -0.28 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.945 HG21 ' HB2' ' A' ' 898' ' ' ARG . 87.3 m -52.96 -52.99 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.39 -24.67 67.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.124 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 93.7 m-20 -67.34 -28.62 68.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.043 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.478 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.6 mp -57.88 -38.29 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 110.432 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -72.81 -28.61 62.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 15.3 m -78.35 -36.81 45.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.154 0.502 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 55.0 m -82.32 -3.54 55.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.165 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.623 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -56.46 111.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.3 0.571 . . . . 0.0 110.347 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 134.47 -30.78 2.85 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.982 -174.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -108.18 116.33 31.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.812 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.26 -51.72 62.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.3 -173.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -50.72 -53.76 24.41 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.76 -0.654 . . . . 0.0 113.471 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 39.3 tt0 -69.57 -35.34 75.28 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.134 0.467 . . . . 0.0 111.657 -176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.2 mtp -60.48 -45.63 93.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.897 0.379 . . . . 0.0 110.573 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.609 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.5 t -65.71 -40.01 86.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.948 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.473 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.3 ttm180 -53.56 -50.38 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 81.4 mm-40 -61.54 -46.36 90.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.64 -39.76 77.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.823 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 43.1 mtm180 -62.43 -39.26 92.74 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.77 0.319 . . . . 0.0 110.317 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 824' ' ' ARG . 70.2 mt -61.75 -42.0 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.924 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.564 HD22 HG23 ' A' ' 805' ' ' ILE . 83.2 mt -61.48 -49.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.874 177.343 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.29 72.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.023 0.439 . . . . 0.0 110.666 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.48 -49.09 62.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.87 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.43 92.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.395 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.621 HG23 ' HG ' ' A' ' 863' ' ' LEU . 26.0 m -58.95 -39.91 83.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.32 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 74.4 m -61.18 -35.43 77.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.551 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.47 -48.02 79.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.428 HD12 HD12 ' A' ' 805' ' ' ILE . 16.6 mt -64.85 -44.23 90.45 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.877 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 833' ' ' THR . 71.0 t -53.34 -49.21 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.639 0.257 . . . . 0.0 111.008 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -67.34 -44.73 78.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.849 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.32 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.431 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.32 -46.43 94.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.348 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 56.8 mttm -58.75 -49.52 77.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 111.218 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 842' ' ' ALA . . . . . 0.539 ' HA ' ' OE1' ' A' ' 845' ' ' GLU . . . -69.11 -34.84 75.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.334 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.932 0.396 . . . . 0.0 110.434 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.08 -23.46 67.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.998 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 845' ' ' GLU . . . . . 0.539 ' OE1' ' HA ' ' A' ' 842' ' ' ALA . 44.3 mt-10 -72.22 -24.99 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.278 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -95.55 -26.7 11.52 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.3 126.31 27.15 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.0 m -84.16 -30.69 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 111.245 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.75 101.45 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.81 -39.06 73.45 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.359 0.412 . . . . 0.0 111.952 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.4 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.945 0.403 . . . . 0.0 110.12 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.452 ' HA ' ' HE2' ' A' ' 855' ' ' LYS . 58.0 t30 -70.78 -36.36 73.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.731 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 m -58.8 -50.06 75.37 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.117 0.484 . . . . 0.0 110.092 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.69 -45.76 92.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.677 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 855' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 852' ' ' ASN . 37.5 ttpt -57.34 -42.01 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.834 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.08 -53.01 62.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.705 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.22 -44.75 94.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.2 m -61.5 -41.79 97.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.54 79.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.15 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 861' ' ' LYS . . . . . 0.472 ' O ' ' HD2' ' A' ' 861' ' ' LYS . 0.3 OUTLIER -66.25 -45.17 81.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.771 178.822 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.8 -47.24 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.331 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.621 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -58.21 -56.49 21.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.356 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.81 -30.68 61.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.435 -176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.14 -39.65 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.701 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.82 71.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.253 0.549 . . . . 0.0 109.631 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.444 ' OG1' HG21 ' A' ' 833' ' ' THR . 24.0 m -67.32 -49.55 63.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.841 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.16 -50.18 71.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.4 -45.26 94.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.666 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 13.2 ttt -64.86 -49.46 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.635 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 50.2 t -54.88 -48.09 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.215 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.444 ' HA ' ' HE3' ' A' ' 875' ' ' LYS . 33.3 mt-10 -64.85 -40.67 95.54 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.745 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.06 88.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.709 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.56 89.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.698 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 823' ' ' VAL . 10.1 mtmp? -59.27 -43.78 92.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.943 0.401 . . . . 0.0 110.628 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.42 -42.65 64.18 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.443 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 877' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -66.36 -31.69 72.62 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.153 0.501 . . . . 0.0 110.988 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -70.96 -58.99 3.04 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.602 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.541 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -68.35 -28.53 67.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.605 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -104.86 87.22 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 25.4 Cg_exo -61.58 -54.35 1.72 Allowed 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.104 2.536 . . . . 0.0 113.207 -166.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.01 -17.42 59.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.966 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.6 t -57.86 102.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 111.696 -171.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.115 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.93 -50.16 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.156 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 886' ' ' GLN . . . . . 0.575 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 84.5 mm-40 -58.22 -44.19 88.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.782 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 72.3 mm-40 -62.82 -47.57 82.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.384 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.176 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -59.94 -45.09 93.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.425 177.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.478 HD21 ' CG2' ' A' ' 812' ' ' ILE . 59.8 tp -65.72 -40.79 92.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.475 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 71.3 mtt180 -53.13 -49.05 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.571 -178.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.22 -32.19 38.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.723 0.297 . . . . 0.0 111.098 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.06 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 894' ' ' ALA . . . . . 0.666 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -63.84 -40.2 96.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.094 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.8 -36.2 79.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -65.8 -42.05 95.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.282 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.89 -49.66 71.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 110.491 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.945 ' HB2' HG21 ' A' ' 809' ' ' THR . 12.8 ttp180 -61.03 -41.49 96.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 51.7 ttm -67.33 -42.7 83.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.645 HG21 ' HB ' ' A' ' 805' ' ' ILE . 37.0 m -67.08 -41.45 86.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.15 -33.09 72.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.972 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 903' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 906' ' ' GLN . . . -65.78 -44.28 86.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.658 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.36 73.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.115 0.483 . . . . 0.0 110.293 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.32 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.233 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 906' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 903' ' ' ALA . 13.9 pt20 -74.26 -21.86 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.271 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -77.43 -6.19 52.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.398 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.58 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 4.3 m-85 . . . . . 0 CA--C 1.517 -0.311 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.37 -39.31 89.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.136 -166.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -64.27 -50.19 68.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.79 0.328 . . . . 0.0 111.041 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -74.24 -36.53 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.662 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 17.7 p -64.1 -42.62 96.83 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.592 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.58 -43.28 71.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.159 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 808' ' ' VAL . 31.2 m -57.1 -53.0 63.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.725 HG23 HD22 ' A' ' 829' ' ' LEU . 68.9 mt -62.71 -49.98 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.581 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -53.86 -42.48 68.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.588 0.233 . . . . 0.0 111.41 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 50.3 m -71.25 -50.52 31.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.303 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 804' ' ' THR . 90.2 t -60.61 -36.0 67.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.34 -176.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 99.8 m -54.76 -45.26 74.19 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.473 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 5.0 mm-40 -63.13 -25.72 68.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.954 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.578 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.458 HG13 ' CB ' ' A' ' 825' ' ' GLN . 3.7 mp -67.21 -44.66 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.564 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.44 -31.07 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 23.2 t -72.63 -39.68 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.172 0.51 . . . . 0.0 110.088 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -83.16 -5.98 59.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.622 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 48.1 ttm -54.01 121.38 7.93 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 128.69 -22.28 5.22 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -174.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.79 116.11 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.585 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.42 -50.72 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.955 -173.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.6 94.02 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.255 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.408 ' OE1' ' HD2' ' A' ' 824' ' ' ARG . 7.6 tp10 -67.54 -44.25 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 111.588 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 85.1 mtp -60.57 -39.93 89.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.674 -175.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 875' ' ' LYS . 69.2 t -66.67 -37.3 79.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.44 178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.408 ' HD2' ' OE1' ' A' ' 821' ' ' GLU . 41.2 ttm180 -61.25 -46.31 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.692 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.458 ' CB ' HG13 ' A' ' 812' ' ' ILE . 86.4 mm-40 -59.18 -40.06 84.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.182 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -64.7 -37.82 88.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.028 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -61.98 -36.8 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.92 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.11 -43.65 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.465 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.725 HD22 HG23 ' A' ' 805' ' ' ILE . 47.6 mt -61.36 -45.87 92.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.737 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -56.67 -40.08 74.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -66.42 -49.22 67.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.563 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.01 91.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.894 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.678 HG23 ' HG ' ' A' ' 863' ' ' LEU . 46.4 m -58.56 -36.44 73.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.242 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.0 m -59.71 -35.98 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.134 -175.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.83 -39.07 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 798' ' ' TYR . 13.3 mt -65.66 -41.6 92.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 833' ' ' THR . 93.8 t -53.38 -40.89 42.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -74.21 -43.53 56.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.923 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.87 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.558 ' HA ' ' CE1' ' A' ' 798' ' ' TYR . 75.8 mt -59.57 -44.87 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 64.1 mttm -58.93 -46.53 87.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.993 0.425 . . . . 0.0 110.823 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.553 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -74.4 -30.29 61.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.789 0.328 . . . . 0.0 110.362 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.32 80.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 175.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 845' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.6 mt-10 -75.16 -15.94 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -90.57 -7.19 67.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.575 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -83.91 140.89 31.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.318 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 23.3 t -90.72 -19.67 23.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.246 0.546 . . . . 0.0 110.185 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 108.08 20.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.85 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 853' ' ' SER . 4.7 mp -63.0 -29.5 70.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -178.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.22 -39.61 79.51 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.445 0.64 . . . . 0.0 109.528 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -80.29 -42.42 23.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.725 176.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 850' ' ' LEU . 47.3 m -55.6 -49.5 72.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.192 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -68.59 -29.13 67.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.695 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.98 -36.96 75.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.936 177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' A' ' 907' ' ' ASN . 92.8 mt -68.33 -47.82 66.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.345 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.06 -49.31 76.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.271 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 862' ' ' ILE . 18.8 p -63.11 -39.33 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.15 93.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.99 98.69 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -67.74 -39.03 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.676 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 858' ' ' SER . 84.5 mt -63.65 -47.01 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.994 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.678 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.1 tp -56.35 -57.42 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.801 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -53.51 -35.29 60.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -83.8 -38.5 21.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.743 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.51 67.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.415 ' OG1' HG21 ' A' ' 833' ' ' THR . 24.4 m -72.06 -49.82 33.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.69 82.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.409 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -53.97 -50.31 66.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.641 173.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.742 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 0.3 OUTLIER -60.31 -54.5 44.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.105 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.485 HG12 ' HE3' ' A' ' 875' ' ' LYS . 74.2 t -57.3 -41.9 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.945 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.49 -36.86 79.52 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.97 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.415 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.15 95.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.567 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.498 ' HA ' HG22 ' A' ' 823' ' ' VAL . 94.0 mttt -57.48 -50.79 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.66 -45.3 93.27 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.515 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.179 0.514 . . . . 0.0 111.151 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.585 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -76.84 -65.3 0.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.909 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.95 -31.03 72.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.765 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -106.44 83.69 1.25 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.9 -40.29 21.75 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.6 2.2 . . . . 0.0 112.655 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -76.6 -9.74 58.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.359 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 35.6 t -79.66 98.26 6.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.406 . . . . 0.0 110.751 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.01 -25.95 66.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.352 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 45.5 mt-10 -60.38 -50.04 75.19 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -64.24 -33.59 76.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.968 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 883' ' ' SER . 72.5 mm-40 -62.34 -48.78 78.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.096 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 53.7 tp60 -63.73 -42.17 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.611 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.1 mtt180 -59.06 -39.81 83.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.431 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 47.2 tp -65.28 -39.78 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.466 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 96.9 mtt180 -58.42 -51.18 70.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 892' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 36.2 mt-10 -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.429 0.633 . . . . 0.0 110.532 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.742 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.26 -45.47 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.932 -175.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.48 76.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.123 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.65 -36.3 75.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.264 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.68 93.5 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.462 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.64 -47.65 82.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.35 -47.16 86.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.079 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.0 ttp -58.36 -50.11 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.777 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.49 90.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.382 . . . . 0.0 111.265 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.68 HG21 ' HB ' ' A' ' 805' ' ' ILE . 44.0 m -66.0 -46.57 77.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.44 ' HB2' HD11 ' A' ' 806' ' ' LEU . 57.0 t30 -66.95 -30.83 71.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.054 0.454 . . . . 0.0 109.947 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 903' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 906' ' ' GLN . . . -66.26 -44.14 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.981 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.33 73.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.084 0.468 . . . . 0.0 110.279 174.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.1 84.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.173 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 906' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 903' ' ' ALA . 12.7 pt20 -78.16 -23.26 47.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.642 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 907' ' ' ASN . . . . . 0.417 ' HB3' ' CD2' ' A' ' 856' ' ' LEU . 3.6 m-80 -69.23 -16.08 63.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.898 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.187 175.72 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 836' ' ' LEU . 16.5 m-85 . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.71 -29.04 68.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.966 -166.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.77 -48.67 45.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.02 89.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.038 -177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 21.3 p -67.67 -43.27 80.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.367 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.15 -43.46 61.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.768 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 808' ' ' VAL . 29.7 m -55.31 -54.11 47.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.35 175.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.612 ' HB ' HG21 ' A' ' 901' ' ' THR . 91.1 mt -61.69 -50.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.46 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.3 mm? -55.7 -38.63 69.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.645 0.259 . . . . 0.0 111.35 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 807' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 32.7 m -76.28 -46.39 28.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.483 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.654 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 89.1 t -64.52 -27.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.549 0.214 . . . . 0.0 110.999 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 898' ' ' ARG . 54.8 m -52.88 -51.28 61.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 807' ' ' THR . 12.7 pt-20 -67.77 -24.4 65.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.608 0.242 . . . . 0.0 110.815 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.654 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.2 m-20 -58.41 -33.64 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.625 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.524 HG21 HD11 ' A' ' 890' ' ' LEU . 3.4 mp -60.82 -37.26 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -75.06 -30.14 60.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.412 . . . . 0.0 110.329 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.4 t -72.33 -45.44 59.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.4 m -81.61 -2.87 51.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.373 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.603 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 47.3 ttm -50.28 115.68 1.54 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.259 0.552 . . . . 0.0 110.633 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.09 -41.3 1.52 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.7 112.02 23.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.766 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.14 -51.25 64.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.651 -173.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.71 90.87 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.87 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -67.36 -39.29 85.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.751 0.275 . . . . 0.0 111.031 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.6 mtp -61.57 -47.85 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.622 177.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.597 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 75.9 t -65.68 -35.34 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.45 ' O ' HG13 ' A' ' 828' ' ' ILE . 18.5 tpt180 -55.83 -48.7 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 177.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.67 -41.69 98.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.15 81.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.226 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 85.8 mtt-85 -62.84 -42.19 99.64 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.694 0.283 . . . . 0.0 110.351 177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.8 mt -59.91 -44.73 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.578 HD22 HG23 ' A' ' 805' ' ' ILE . 57.2 mt -60.05 -47.26 86.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.95 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.25 -51.89 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -58.91 -48.21 82.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.786 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.62 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.026 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.502 HG21 ' OG1' ' A' ' 867' ' ' THR . 98.4 m -62.91 -40.36 97.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.639 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.2 m -59.34 -45.53 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 110.391 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.64 -36.42 78.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.482 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 798' ' ' TYR . 27.8 tp -68.39 -42.77 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 833' ' ' THR . 56.2 t -55.89 -49.1 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.321 . . . . 0.0 110.612 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.04 -46.12 90.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.281 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.68 72.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.49 -48.79 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.179 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 45.8 mtpt -68.86 -39.15 80.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.757 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.61 79.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 0.0 110.493 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.62 -32.14 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.155 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.94 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.982 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 845' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 53.0 mt-10 -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.56 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.0 -20.21 53.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.785 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.87 122.72 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.702 0.401 . . . . 0.0 110.594 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 57.0 p -79.91 -14.02 58.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.696 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 849' ' ' ASP . . . . . 0.502 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 7.8 t70 -86.83 95.38 9.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.637 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -57.44 -38.71 74.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.355 0.409 . . . . 0.0 110.906 -173.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.04 -39.8 87.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.021 0.439 . . . . 0.0 110.774 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.502 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.2 t30 -72.71 -32.98 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.0 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 50.6 m -60.13 -40.57 90.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.502 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 854' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 85.9 mtt-85 -60.64 -40.33 91.59 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.189 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -64.73 -41.74 95.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.609 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 94.2 mt -65.35 -48.97 71.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.47 -46.13 87.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.412 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 14.1 p -69.43 -36.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.37 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.784 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.24 86.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.671 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -63.49 -52.81 59.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.366 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.21 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.93 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 833' ' ' THR . 10.0 tp -61.87 -57.19 12.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.59 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -54.39 -30.02 50.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 0.0 111.705 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.97 -35.51 25.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.51 -33.0 74.62 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.502 ' OG1' HG21 ' A' ' 833' ' ' THR . 5.7 m -69.73 -43.54 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.96 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 110.522 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 869' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 869' ' ' LYS . 8.2 mmmm -64.15 -53.66 45.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.276 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.402 ' HB2' ' HB2' ' A' ' 897' ' ' LEU . 11.3 tpt -55.5 -53.6 54.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.332 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 830' ' ' ALA . 40.0 t -59.15 -50.1 81.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.899 -175.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.47 -31.51 69.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.722 0.296 . . . . 0.0 111.369 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.51 75.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.7 -47.57 85.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.966 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.559 ' HA ' HG22 ' A' ' 823' ' ' VAL . 29.4 mtpp -55.67 -48.97 74.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.781 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.01 92.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.97 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -71.0 -27.93 64.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.223 0.535 . . . . 0.0 111.229 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.766 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -80.14 -60.69 2.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.881 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.534 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.8 -35.0 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.073 -175.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -106.59 84.21 1.42 Allowed Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 24.4 Cg_exo -62.46 -38.26 53.78 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.964 2.442 . . . . 0.0 112.752 -168.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.32 -14.33 59.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.797 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.599 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -68.4 105.04 2.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.078 0.466 . . . . 0.0 111.477 -172.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -67.01 -32.1 73.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.998 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.47 -41.65 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.187 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 886' ' ' GLN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 883' ' ' SER . 14.4 mm100 -67.53 -38.05 83.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 883' ' ' SER . 80.6 mm-40 -59.51 -45.58 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -57.42 -50.24 73.65 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.753 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -54.4 -46.38 73.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.399 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.524 HD11 HG21 ' A' ' 812' ' ' ILE . 58.7 tp -62.48 -48.45 79.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.373 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -58.54 -41.24 85.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 111.07 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.82 -47.36 53.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.95 88.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.112 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.69 84.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.639 0.257 . . . . 0.0 111.144 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.72 -36.64 67.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.3 -44.85 96.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.468 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 870' ' ' MET . 3.0 tm? -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.449 ' HB2' HG21 ' A' ' 809' ' ' THR . 46.8 ttp180 -55.97 -50.11 71.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.222 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 50.0 ttp -59.52 -50.12 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.48 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 900' ' ' ALA . . . . . 0.425 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -59.6 -45.54 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.98 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.612 HG21 ' HB ' ' A' ' 805' ' ' ILE . 24.4 m -66.5 -45.0 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.93 -39.26 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.672 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.27 91.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.53 78.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.293 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.088 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -72.94 -25.72 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.927 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -86.17 -6.98 58.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.606 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.407 178.743 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.434 ' HB3' HD21 ' A' ' 836' ' ' LEU . 17.1 m-85 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -33.66 75.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.109 -164.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.96 -46.79 56.13 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.555 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.58 83.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.415 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 34.2 p -64.34 -45.24 88.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.685 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.33 -42.04 69.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.61 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 808' ' ' VAL . 92.6 m -58.87 -54.57 45.58 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.283 176.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.672 ' HB ' HG21 ' A' ' 901' ' ' THR . 65.1 mt -60.77 -50.68 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.504 -177.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.0 OUTLIER -51.08 -52.43 43.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.723 0.297 . . . . 0.0 110.925 178.52 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 47.1 m -65.33 -47.61 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.661 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 804' ' ' THR . 92.8 t -62.82 -34.79 67.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.839 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.6 HG21 ' HB2' ' A' ' 898' ' ' ARG . 90.0 m -55.6 -48.79 74.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -58.31 -31.47 67.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.112 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.16 -21.78 63.04 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.927 -174.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 808' ' ' VAL . 2.8 mp -63.23 -41.53 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.801 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -71.88 -27.82 63.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.9 m -75.11 -32.39 61.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.237 0.541 . . . . 0.0 110.337 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 35.4 m -82.81 -3.75 57.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.562 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.1 mmt -46.52 121.74 3.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.619 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.32 -28.92 7.96 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.416 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 818' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.7 t70 -105.91 113.15 26.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.643 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -51.02 65.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.684 -173.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.07 97.5 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.43 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.556 ' OE2' ' HD3' ' A' ' 824' ' ' ARG . 9.5 tp10 -63.99 -45.95 86.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.762 0.315 . . . . 0.0 111.17 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.547 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 90.1 mtp -63.86 -45.24 90.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.438 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 875' ' ' LYS . 89.2 t -65.71 -35.8 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.25 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.556 ' HD3' ' OE2' ' A' ' 821' ' ' GLU . 47.3 ttt180 -55.99 -51.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.499 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 79.6 mm-40 -59.88 -41.82 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.96 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.98 86.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 70.9 mtp180 -68.93 -32.99 73.0 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.796 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.9 mt -66.34 -44.36 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.756 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.591 HD22 HG23 ' A' ' 805' ' ' ILE . 67.2 mt -58.27 -47.35 83.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.562 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.07 -43.7 70.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.088 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -65.98 -48.37 71.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.05 96.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.192 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.533 HG23 ' HG ' ' A' ' 863' ' ' LEU . 49.5 m -60.96 -37.73 83.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.1 m -60.94 -33.74 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.559 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.83 -52.55 49.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.043 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 805' ' ' ILE . 26.0 mt -60.59 -47.91 84.09 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.927 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 833' ' ' THR . 86.7 t -53.82 -42.37 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 -178.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.27 -44.75 35.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.66 0.267 . . . . 0.0 111.254 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.2 68.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.506 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.74 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.062 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.87 -41.41 97.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.278 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.67 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 0.0 110.614 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.19 -34.71 68.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.22 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.12 -20.29 57.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.664 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -99.31 0.16 57.06 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.245 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.4 tp10 -86.33 144.27 27.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.2 m -89.4 -1.91 58.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.908 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 849' ' ' ASP . . . . . 0.462 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 17.9 t70 -121.15 113.19 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -29.89 66.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.825 -173.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.85 -46.32 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.47 0.652 . . . . 0.0 109.31 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -63.72 -40.67 97.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.514 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 58.6 m -58.86 -40.27 83.81 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.946 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.53 -42.19 98.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.607 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.0 -44.3 97.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.46 -53.63 55.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.861 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.14 -42.96 81.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.0 m -63.94 -39.92 95.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.87 95.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.9 99.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.59 -52.13 66.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.001 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.19 -43.81 94.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.884 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.533 ' HG ' HG23 ' A' ' 833' ' ' THR . 13.3 tp -60.14 -53.17 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.753 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.99 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.28 -39.11 18.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.439 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 866' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.89 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.405 ' OG1' HG21 ' A' ' 833' ' ' THR . 10.2 m -74.07 -43.51 57.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.859 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.32 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.45 -47.05 68.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.696 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 12.9 tpt -55.57 -53.39 56.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.745 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 44.9 t -59.54 -46.11 93.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.895 -175.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.5 -38.94 81.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.698 0.285 . . . . 0.0 111.416 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.04 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.519 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.86 97.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.796 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.637 ' HA ' HG22 ' A' ' 823' ' ' VAL . 98.2 mttt -58.85 -49.38 77.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.762 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.86 91.97 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.892 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.74 -25.37 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -82.76 -64.94 1.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -59.53 -36.86 76.94 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -175.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 880' ' ' HIS . . . . . 0.41 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 73.6 m80 -106.79 84.25 1.48 Allowed Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 170.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.6 Cg_exo -59.64 -53.19 3.55 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.047 2.498 . . . . 0.0 113.31 -167.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.44 -2.42 31.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -173.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.41 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 67.4 m -71.58 95.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 111.015 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -63.26 -28.12 69.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.162 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 41.9 mt-10 -64.28 -49.59 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.477 178.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -66.83 -32.84 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.363 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.68 -51.24 70.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -65.01 -40.1 94.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.714 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 82.7 mtp180 -63.51 -35.85 81.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.489 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.13 -39.7 90.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.67 -47.75 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.739 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -33.9 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.696 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.01 -47.11 66.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.107 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.39 -35.72 81.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.25 -50.34 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.86 96.89 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.424 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -61.04 -50.3 73.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.344 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.6 ' HB2' HG21 ' A' ' 809' ' ' THR . 52.8 ttp180 -63.74 -40.13 95.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.484 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 52.9 ttp -60.52 -54.66 42.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.66 95.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.256 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.672 HG21 ' HB ' ' A' ' 805' ' ' ILE . 87.9 m -63.72 -49.47 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.246 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 60.6 t30 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.419 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.44 81.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.425 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.78 73.99 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.98 0.419 . . . . 0.0 110.578 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.643 175.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -75.29 -23.8 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.68 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -78.64 -6.56 56.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.208 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 179.629 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.421 ' HB3' HD21 ' A' ' 836' ' ' LEU . 18.4 m-85 . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.322 0.106 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 799' ' ' ASP . . . . . 0.421 ' HA ' ' OG1' ' A' ' 802' ' ' THR . 37.6 t70 -67.11 -28.12 67.9 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -165.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -72.14 -38.29 69.26 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.79 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -78.78 -40.25 33.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 799' ' ' ASP . 32.8 p -64.94 -39.76 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.695 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -48.22 -47.88 35.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.277 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 808' ' ' VAL . 48.6 m -60.85 -51.73 68.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.666 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 836' ' ' LEU . 58.9 mt -58.56 -54.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.374 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 806' ' ' LEU . 2.1 mm? -54.76 -46.06 74.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.403 0.144 . . . . 0.0 111.287 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -65.95 -44.93 83.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.284 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 86.2 t -69.27 -36.01 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.066 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 898' ' ' ARG . 98.9 m -54.87 -53.38 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.412 . . . . 0.0 111.832 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.32 -24.9 67.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 86.3 m-20 -62.53 -27.68 69.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.685 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.455 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.0 mp -56.96 -43.28 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.422 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 813' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 894' ' ' ALA . 96.3 m-85 -70.82 -33.75 71.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.78 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 21.4 t -75.29 -27.73 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -82.79 -2.93 55.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.311 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 9.6 mmt -45.64 108.37 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.502 0.501 . . . . 0.0 111.431 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 139.6 -45.09 1.03 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -103.71 115.67 30.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 0.0 110.283 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.613 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.02 -46.82 82.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.393 -176.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.92 -45.67 79.79 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.386 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.4 tp10 -67.34 -43.48 81.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.884 0.342 . . . . 0.0 110.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.54 -47.9 83.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.764 0.316 . . . . 0.0 110.916 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.7 -37.14 79.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.368 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -60.46 -43.6 96.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 32.1 mm-40 -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.467 ' HB1' HG13 ' A' ' 871' ' ' VAL . . . -61.31 -36.48 80.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.1 -46.78 87.43 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.076 0.465 . . . . 0.0 110.286 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.42 -43.26 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.386 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.1 -43.49 98.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.031 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.22 -45.19 84.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.33 -49.46 71.64 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.94 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.593 HG23 ' HG ' ' A' ' 863' ' ' LEU . 42.9 m -60.24 -41.6 93.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.4 m -61.23 -43.14 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -41.49 90.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.625 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -62.34 -46.68 87.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.57 HG13 ' HB1' ' A' ' 860' ' ' ALA . 73.4 t -55.48 -43.93 74.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.756 0.312 . . . . 0.0 110.689 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.79 -45.92 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.07 98.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 836' ' ' LEU . 75.7 mt -63.8 -46.9 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 98.2 mttt -58.76 -43.11 90.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.703 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.27 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.038 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -70.41 -32.57 70.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.66 78.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.747 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 845' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 49.9 mm-40 -70.17 -34.04 72.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.139 0.495 . . . . 0.0 110.271 176.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -92.69 10.03 74.7 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.7 tp10 -88.92 142.92 27.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 10.0 m -78.82 -29.14 44.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 849' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 852' ' ' ASN . 27.2 m-20 -91.05 107.12 18.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.152 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.97 -42.19 98.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.618 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.95 -34.82 75.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.485 ' HB3' ' HB2' ' A' ' 849' ' ' ASP . 63.8 t30 -77.43 -32.68 54.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.266 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.486 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 40.5 m -56.72 -41.65 77.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.223 0.535 . . . . 0.0 109.904 174.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 854' ' ' ARG . 22.5 mtp180 -68.6 -33.33 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.268 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.14 -43.62 86.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.032 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.36 -46.89 88.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.299 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 853' ' ' SER . 97.8 mt -58.9 -39.2 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 177.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.0 t -64.67 -48.15 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.135 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.31 90.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.57 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -60.42 -40.9 92.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.764 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.24 -52.42 54.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -41.95 68.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.593 ' HG ' HG23 ' A' ' 833' ' ' THR . 6.8 tp -59.97 -56.82 16.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.853 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.84 -29.23 62.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 865' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 869' ' ' LYS . 46.7 m-20 -82.58 -45.33 14.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.802 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 866' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.7 -30.74 65.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.099 0.476 . . . . 0.0 109.857 175.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 871' ' ' VAL . 29.6 m -67.58 -52.8 34.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.823 177.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.84 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.857 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 869' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 865' ' ' ASP . 51.2 mtpt -63.49 -51.64 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.139 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 7.1 ptm -72.68 -30.74 64.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.287 -174.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.467 HG13 ' HB1' ' A' ' 826' ' ' ALA . 53.5 t -64.82 -44.24 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.781 0.324 . . . . 0.0 110.58 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -72.0 -34.74 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.32 92.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.52 96.37 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.56 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -51.74 -52.87 45.38 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.65 82.9 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.033 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.98 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 0.0 111.059 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.34 -67.39 0.8 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.566 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.92 -34.23 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.507 -173.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -107.66 83.12 1.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 172.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 9.7 Cg_exo -70.23 -27.09 24.65 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.882 2.388 . . . . 0.0 112.549 -171.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.26 -25.69 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 39.2 m -72.7 122.58 21.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -93.55 -30.6 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.597 -175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 mt-10 -60.71 -40.48 92.4 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.097 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 54.7 mm-40 -63.29 -45.82 89.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.087 0.47 . . . . 0.0 110.07 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -65.09 -43.74 91.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.1 mtt180 -61.66 -37.13 82.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.447 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 812' ' ' ILE . 53.1 tp -65.27 -39.95 93.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.642 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 68.8 mtp180 -53.63 -46.77 70.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.988 0.423 . . . . 0.0 110.631 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -75.52 -44.81 41.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.457 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.48 78.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.571 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 894' ' ' ALA . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 813' ' ' PHE . . . -68.47 -41.02 80.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.438 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.8 -28.8 67.89 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.728 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.04 75.44 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.377 174.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.41 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -67.48 -45.43 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 809' ' ' THR . 70.9 ttt180 -53.78 -48.85 69.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.379 175.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 20.4 ttt -62.36 -47.11 85.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.368 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.85 79.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.911 0.386 . . . . 0.0 111.383 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 901' ' ' THR . . . . . . . . . . . . . 16.6 m -67.44 -45.33 76.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.72 -40.61 88.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.51 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 903' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -65.14 -49.37 70.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.466 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.73 -35.41 74.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.058 0.456 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.63 -52.36 66.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.846 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -79.01 -22.64 45.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.594 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 907' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 18.2 t-20 -59.88 -45.86 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.654 -177.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 O-C-N 123.987 0.804 . . . . 0.0 111.605 -178.308 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.518 ' HB3' HD21 ' A' ' 836' ' ' LEU . 6.6 m-85 . . . . . 0 CA--C 1.523 -0.083 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 799' ' ' ASP . . . . . 0.449 ' HA ' ' OG1' ' A' ' 802' ' ' THR . 30.2 t70 -67.31 -29.21 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.983 -168.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.08 -42.51 76.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.09 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -76.22 -41.39 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.456 HG22 HD11 ' A' ' 836' ' ' LEU . 19.9 p -62.74 -47.38 83.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.409 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -49.94 -42.71 49.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.151 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.7 m -60.49 -52.16 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.814 HD12 HD12 ' A' ' 836' ' ' LEU . 65.3 mt -62.69 -51.61 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.578 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 806' ' ' LEU . 1.7 mm? -53.58 -40.63 65.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.644 0.259 . . . . 0.0 111.16 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.3 m -76.05 -48.82 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.583 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.449 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 96.2 t -63.95 -30.95 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.208 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.691 HG21 ' HB2' ' A' ' 898' ' ' ARG . 58.6 m -52.84 -47.75 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 111.455 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -62.5 -25.91 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 83.3 m-20 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -172.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.59 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.1 mp -61.81 -37.9 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.233 0.539 . . . . 0.0 109.931 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -72.12 -27.14 62.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.595 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.2 m -76.03 -27.92 57.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 110.321 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 74.1 m -82.67 -3.35 56.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.558 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.0 mmt -48.48 128.52 14.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 119.38 -52.05 0.73 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.38 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 818' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 822' ' ' MET . 35.2 t70 -101.21 113.23 26.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 109.887 176.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.474 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.94 -47.63 79.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.557 -173.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.73 -44.95 60.78 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.707 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.8 tt0 -67.94 -37.4 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 117.029 0.414 . . . . 0.0 111.003 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 87.2 mtp -58.85 -45.75 89.37 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.084 0.468 . . . . 0.0 110.507 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.649 HG22 ' HA ' ' A' ' 875' ' ' LYS . 70.6 t -66.01 -33.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.734 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.49 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.6 ttp180 -62.01 -42.47 99.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.59 ' HB2' HG13 ' A' ' 812' ' ' ILE . 77.7 mm-40 -61.91 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -60.22 -39.08 85.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.038 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -64.13 -35.31 80.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.7 mt -64.5 -47.47 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.963 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.0 83.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.822 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.37 -47.46 76.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.07 93.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.285 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 863' ' ' LEU . 85.4 m -61.67 -39.0 89.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.3 m -64.14 -44.4 92.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.543 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.42 -37.92 89.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.198 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.814 HD12 HD12 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -63.75 -49.09 74.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.069 177.491 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.696 HG13 ' HB1' ' A' ' 860' ' ' ALA . 76.4 t -59.39 -41.76 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.001 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -59.23 -41.95 89.91 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.973 0.416 . . . . 0.0 110.626 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.64 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 836' ' ' LEU . 70.4 mt -58.1 -47.81 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.81 -52.06 67.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.819 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.41 82.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -68.71 -38.9 80.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.02 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 844' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 856' ' ' LEU . . . -64.86 -33.18 75.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.273 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.44 -32.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.51 -25.13 33.96 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.657 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.9 tp10 -60.39 132.63 54.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.695 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.9 m -92.97 -5.79 49.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.646 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 849' ' ' ASP . . . . . 0.464 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 13.6 t70 -88.76 108.45 19.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 850' ' ' LEU . 0.8 OUTLIER -59.35 -47.23 86.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.808 -170.28 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.464 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 9.4 pt-20 -67.29 -33.88 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.002 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.532 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.7 t30 -68.54 -39.06 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.856 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 67.8 m -60.19 -49.33 78.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.565 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.828 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 855' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 855' ' ' LYS . 35.0 ttpt -62.74 -46.29 88.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.51 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 97.7 mt -61.03 -49.04 78.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.47 -30.92 71.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.455 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 50.5 m -77.46 -36.07 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.746 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.49 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.696 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -59.57 -41.41 90.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.26 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -58.65 -50.93 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.009 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.24 -48.34 89.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.496 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.2 tp -58.1 -55.77 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.739 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.93 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.481 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.29 -37.83 27.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 866' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -60.48 -33.78 73.09 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.433 ' OG1' HG21 ' A' ' 833' ' ' THR . 5.8 m -72.86 -42.31 63.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.165 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.52 80.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 110.29 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -60.66 -53.97 50.93 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.138 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 11.8 tpt -55.52 -52.47 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.194 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.491 ' HA ' ' HB1' ' A' ' 826' ' ' ALA . 40.9 t -59.0 -49.09 84.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.696 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.994 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.18 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.198 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.67 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.346 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.649 ' HA ' HG22 ' A' ' 823' ' ' VAL . 54.2 mtpt -58.44 -47.28 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.07 87.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.911 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 877' ' ' ALA . . . . . 0.506 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -67.7 -27.72 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.149 0.499 . . . . 0.0 111.065 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -77.05 -63.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.684 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.548 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -64.78 -30.1 71.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.283 -175.386 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 880' ' ' HIS . . . . . 0.547 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 38.8 m80 -105.72 85.58 1.54 Allowed Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 16.7 Cg_exo -66.93 -57.86 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.839 2.359 . . . . 0.0 112.751 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.98 -3.99 35.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.736 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.547 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 21.1 m -74.68 97.6 3.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.032 0.444 . . . . 0.0 110.574 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.72 -30.06 69.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.076 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.93 -48.01 83.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 109.862 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 886' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 84.7 mm-40 -66.48 -41.65 88.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.493 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -57.34 -50.74 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.51 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 58.0 tp60 -58.56 -48.96 79.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.799 178.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -57.99 -41.45 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.492 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.01 -43.44 95.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.667 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 89.4 mtt180 -57.8 -40.97 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.278 0.561 . . . . 0.0 110.186 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 892' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 41.7 mt-10 -73.41 -43.65 60.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.13 62.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 894' ' ' ALA . . . . . 0.466 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -62.78 -50.38 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.312 . . . . 0.0 111.132 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.15 -28.49 67.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -71.49 -38.61 61.92 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.646 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.589 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.4 tm? -63.42 -46.87 84.34 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 174.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.691 ' HB2' HG21 ' A' ' 809' ' ' THR . 51.1 ttp180 -57.73 -47.34 82.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.06 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 26.0 ttt -58.4 -47.46 83.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.346 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.83 92.89 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.935 0.398 . . . . 0.0 110.941 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.52 HG21 ' HB ' ' A' ' 805' ' ' ILE . 30.7 m -66.36 -43.7 85.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.937 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 33.2 t-20 -58.2 -46.0 86.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.774 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.68 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.055 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.32 -29.98 71.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -63.05 -39.53 95.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.766 176.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -78.1 -23.51 47.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.993 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -70.89 -14.41 62.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.228 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.424 ' HB2' ' CD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.673 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 120.728 0.299 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.86 -34.42 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.412 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.84 -45.38 86.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.107 0.48 . . . . 0.0 110.245 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -72.38 -44.16 62.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.049 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.868 HG21 ' HB2' ' A' ' 905' ' ' ALA . 46.7 p -67.26 -44.72 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.446 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.57 -35.89 75.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.216 0.531 . . . . 0.0 109.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 808' ' ' VAL . 93.0 m -67.34 -58.02 5.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.344 174.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.75 HG23 HD22 ' A' ' 829' ' ' LEU . 81.7 mt -55.79 -46.6 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 122.318 0.247 . . . . 0.0 111.614 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.0 mp -56.31 -42.36 77.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.389 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 31.0 m -76.69 -39.28 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.582 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.478 HG11 ' HB ' ' A' ' 828' ' ' ILE . 74.8 t -65.65 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 122.045 -0.409 . . . . 0.0 110.596 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 898' ' ' ARG . 93.4 m -57.74 -54.18 49.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.809 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.11 -25.52 65.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 110.218 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.74 -21.83 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.987 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.51 HG21 HD11 ' A' ' 890' ' ' LEU . 2.4 mp -65.01 -38.65 83.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -72.81 -32.25 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.387 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 16.7 t -68.97 -39.81 79.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.972 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 16.3 m -83.08 -6.3 59.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.529 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.439 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.3 ttm -53.1 119.37 4.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.735 -177.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 118.08 -0.27 16.98 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.478 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -134.68 117.02 15.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.623 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.11 -54.35 35.38 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.0 111.703 -174.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.59 -46.19 93.58 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.205 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 39.9 tp10 -68.39 -35.2 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.572 0.225 . . . . 0.0 111.266 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.439 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -66.08 -44.68 83.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.651 0.262 . . . . 0.0 110.853 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 57.9 t -66.06 -36.72 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.117 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 821' ' ' GLU . 76.9 ttt180 -52.07 -52.28 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.62 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -64.46 -39.31 93.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.29 82.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.771 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 30.0 mtm180 -66.02 -36.55 83.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.693 0.283 . . . . 0.0 110.671 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.478 ' HB ' HG11 ' A' ' 808' ' ' VAL . 55.7 mt -61.61 -39.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.983 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 805' ' ' ILE . 82.8 mt -62.31 -48.55 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.666 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.94 -49.97 66.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.151 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.28 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.629 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.51 HG23 ' HG ' ' A' ' 863' ' ' LEU . 49.6 m -58.59 -34.97 71.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.078 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.7 m -58.65 -33.44 70.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.82 -43.93 67.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.876 0.37 . . . . 0.0 110.213 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.81 -46.02 89.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 833' ' ' THR . 90.4 t -55.88 -37.83 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.704 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.43 -49.91 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.389 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.75 47.34 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.409 HG23 HD22 ' A' ' 856' ' ' LEU . 73.3 mt -60.02 -39.93 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.642 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 38.8 ttmt -68.18 -43.21 78.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.737 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.65 93.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.29 -36.08 82.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 844' ' ' ALA . . . . . 0.542 ' HB1' ' HG ' ' A' ' 857' ' ' LEU . . . -66.99 -39.26 87.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 177.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 845' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 52.4 mt-10 -72.96 -15.13 61.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.083 0.468 . . . . 0.0 110.452 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -93.55 -36.9 5.71 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.12 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.32 127.71 33.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 39.5 m -82.15 -16.06 51.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.18 115.19 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -39.18 93.89 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.44 -36.98 82.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.45 -36.66 45.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.557 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 18.5 p -69.86 -45.22 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.719 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.3 -38.05 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.629 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 855' ' ' LYS . . . . . 0.413 ' HB3' ' HE2' ' A' ' 855' ' ' LYS . 36.8 ttpt -61.01 -51.31 69.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.405 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 844' ' ' ALA . 90.2 mt -62.92 -44.43 96.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.542 ' HG ' ' HB1' ' A' ' 844' ' ' ALA . 75.0 mt -59.12 -41.97 89.44 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.056 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.9 m -68.32 -42.26 79.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.109 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.45 93.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.88 -43.51 71.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.8 -43.96 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.95 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.51 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.2 tp -58.09 -53.2 60.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.334 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.77 67.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.874 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.28 -35.44 35.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.412 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 866' ' ' ALA . . . . . 0.565 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -59.91 -36.24 76.58 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.454 ' OG1' HG21 ' A' ' 833' ' ' THR . 15.6 m -70.85 -46.52 62.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.072 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.55 78.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.454 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -70.68 -45.42 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.285 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.34 -52.24 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.827 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.5 t -61.28 -45.68 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.709 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -67.72 -37.57 82.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.3 82.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.508 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 874' ' ' ALA . . . . . 0.458 ' HA ' HD13 ' A' ' 890' ' ' LEU . . . -55.99 -44.07 78.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.281 176.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 871' ' ' VAL . 99.5 mttt -56.39 -51.81 66.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.17 86.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.596 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 877' ' ' ALA . . . . . 0.52 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.35 -32.03 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.623 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -73.42 -59.07 2.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.36 -30.04 70.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.471 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -106.89 80.67 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.5 -40.26 18.95 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.564 2.176 . . . . 0.0 112.844 -169.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -76.95 -18.14 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.078 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 26.6 m -79.56 102.01 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.032 0.444 . . . . 0.0 111.216 -175.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 884' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 887' ' ' GLN . 42.0 mt-10 -73.57 -19.15 60.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 886' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 82.5 mm-40 -68.48 -40.81 80.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.003 174.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 78.0 mm-40 -59.48 -43.05 93.35 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.642 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -54.07 -53.82 47.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.37 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -56.15 -43.7 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.79 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.51 HD11 HG21 ' A' ' 812' ' ' ILE . 41.0 tp -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.112 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.5 mtt180 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.613 -174.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.23 -34.88 73.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.85 61.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.9 99.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.997 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 895' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 47.6 mt-10 -66.3 -38.84 88.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.164 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.02 95.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.691 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.565 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -64.21 -49.29 72.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.935 0.398 . . . . 0.0 110.267 176.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 809' ' ' THR . 28.6 ttt180 -60.56 -43.22 97.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.75 -46.88 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.774 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.37 94.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.065 0.46 . . . . 0.0 110.843 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.663 HG21 ' HB ' ' A' ' 805' ' ' ILE . 43.9 m -64.26 -51.8 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.022 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 906' ' ' GLN . 37.5 t-20 -58.19 -42.17 85.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.934 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.75 93.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.57 70.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 110.602 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -63.44 -42.14 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.975 176.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 906' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 64.0 mm-40 -70.9 -23.43 62.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.201 0.524 . . . . 0.0 110.422 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -78.25 -5.42 51.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.798 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.137 0.494 . . . . 0.0 110.927 178.503 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.62 ' CD2' ' HB2' ' A' ' 908' ' ' ALA . 12.9 m-30 . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.555 0.217 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.1 -30.03 69.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.035 -170.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -72.6 -32.77 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.051 0.453 . . . . 0.0 110.571 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.65 -42.95 21.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.808 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.441 HG23 HD11 ' A' ' 836' ' ' LEU . 12.5 p -64.4 -34.14 77.48 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.573 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -52.55 -44.15 65.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.439 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 808' ' ' VAL . 50.2 m -63.4 -54.73 32.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.54 HG23 HD22 ' A' ' 829' ' ' LEU . 76.4 mt -58.4 -49.11 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.198 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.6 mp -57.55 -44.73 85.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 34.2 m -69.91 -43.47 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.192 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 93.1 t -66.24 -31.1 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.547 0.213 . . . . 0.0 110.851 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 93.1 m -57.71 -42.83 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.772 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.37 -30.64 62.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.349 0.595 . . . . 0.0 110.157 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 5.6 m-20 -67.05 -32.51 73.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.135 -173.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.427 HD12 ' H ' ' A' ' 812' ' ' ILE . 4.2 mp -64.4 -36.34 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.58 -26.69 55.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.1 t -77.34 -33.76 55.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.5 p -83.38 -2.94 56.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.735 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.6 mmt -42.46 105.37 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.598 0.561 . . . . 0.0 112.373 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.32 -24.52 5.3 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.186 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -98.25 106.69 19.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 879' ' ' ALA . . . -65.59 -31.88 73.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 -173.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -76.7 -48.84 8.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.2 tt0 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -174.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.516 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 88.1 mtp -58.57 -40.76 84.03 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.917 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.701 HG22 ' HA ' ' A' ' 875' ' ' LYS . 54.3 t -69.12 -40.35 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.043 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.482 ' O ' HG13 ' A' ' 828' ' ' ILE . 74.6 ttt180 -56.23 -44.71 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.925 177.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 17.1 mm-40 -69.56 -38.46 77.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.864 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -39.21 80.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.964 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.06 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.694 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 824' ' ' ARG . 64.8 mt -65.71 -42.29 92.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.931 0.396 . . . . 0.0 109.976 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.54 HD22 HG23 ' A' ' 805' ' ' ILE . 52.1 mt -61.24 -50.52 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.707 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.72 -46.3 74.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -65.13 -43.86 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.67 77.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 837' ' ' VAL . 53.9 m -58.98 -40.45 84.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.709 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.1 m -59.17 -43.87 92.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.54 -38.72 87.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.633 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.504 HD12 HD12 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -68.68 -46.66 68.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.755 -178.66 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 833' ' ' THR . 83.5 t -57.72 -40.62 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.197 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.71 -39.38 84.46 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.853 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 836' ' ' LEU . 61.6 mt -60.92 -47.38 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.468 ' HE3' ' CG1' ' A' ' 837' ' ' VAL . 98.7 mttt -58.82 -47.17 85.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.882 0.372 . . . . 0.0 111.022 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.15 80.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.508 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 843' ' ' ASP . . . . . 0.408 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 33.8 t70 -72.43 -31.48 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 109.956 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.14 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.29 -15.88 61.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.749 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -91.84 -2.99 68.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.755 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -78.0 148.25 34.48 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.511 0.324 . . . . 0.0 110.262 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.5 m -89.19 -28.03 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.925 0.393 . . . . 0.0 110.454 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 849' ' ' ASP . . . . . 0.516 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 13.5 t70 -86.6 112.66 21.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 850' ' ' LEU . 2.3 tm? -63.98 -40.15 95.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.835 0.35 . . . . 0.0 110.797 -173.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -71.31 -39.55 71.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.42 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.516 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.6 t30 -68.04 -25.39 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.282 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.9 m -65.02 -46.0 83.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -65.38 -37.13 86.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.197 0.522 . . . . 0.0 109.72 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 855' ' ' LYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 852' ' ' ASN . 79.3 tttt -56.26 -48.87 75.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.697 175.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.22 -49.7 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 174.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.91 -34.87 70.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 36.6 t -58.51 -47.41 84.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.33 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.44 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.9 91.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -62.65 -47.54 83.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.62 -44.63 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.471 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.463 ' HG ' HG23 ' A' ' 833' ' ' THR . 8.2 tp -60.02 -57.48 12.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.757 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.38 62.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.936 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.87 -42.59 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.639 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.65 68.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.086 0.47 . . . . 0.0 110.061 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.43 ' OG1' HG21 ' A' ' 833' ' ' THR . 17.5 m -73.01 -47.03 48.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.076 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.63 82.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.82 -49.85 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.296 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.558 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.7 tpt -55.02 -51.17 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.906 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 40.0 t -58.36 -50.93 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.791 -176.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.91 -38.3 90.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 110.971 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.07 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.71 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.677 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.701 ' HA ' HG22 ' A' ' 823' ' ' VAL . 9.4 mtpm? -59.53 -47.69 84.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.039 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 876' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 880' ' ' HIS . . . -68.73 -40.49 85.34 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.754 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 877' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -72.01 -26.85 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.047 0.451 . . . . 0.0 111.021 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -75.66 -65.08 0.94 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.751 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.551 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -63.4 -29.78 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 880' ' ' HIS . . . . . 0.588 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 58.4 m-70 -107.06 81.66 0.99 Allowed Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 169.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.551 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 19.4 Cg_exo -65.81 -49.21 2.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.676 2.251 . . . . 0.0 112.89 -170.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.78 -7.9 56.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.217 -174.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.588 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 53.8 m -67.54 108.61 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 0.0 111.358 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 884' ' ' GLU . . . . . 0.586 ' H ' ' CD ' ' A' ' 884' ' ' GLU . 1.6 mp0 -57.35 -47.94 80.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.036 -177.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 tt0 -67.59 -35.82 79.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.746 -175.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 886' ' ' GLN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 85.3 mm-40 -65.14 -41.15 95.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.727 0.299 . . . . 0.0 110.313 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.2 mm-40 -62.47 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.67 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.5 mtt180 -55.2 -44.31 75.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.371 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.413 HD21 ' CG2' ' A' ' 812' ' ' ILE . 43.8 tp -65.87 -41.68 91.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.222 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 75.7 mtp180 -61.42 -31.78 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.99 -47.32 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.97 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.558 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.16 -43.93 85.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.933 -176.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 894' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 898' ' ' ARG . . . -63.82 -42.13 97.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.94 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.51 -33.59 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.539 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.2 44.44 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.477 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.35 -45.84 83.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.602 . . . . 0.0 109.764 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 894' ' ' ALA . 46.7 ttt180 -55.96 -53.76 52.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.693 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 55.3 ttp -63.51 -44.49 94.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.13 90.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.996 0.427 . . . . 0.0 110.975 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.501 HG21 ' HB ' ' A' ' 805' ' ' ILE . 18.5 m -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.734 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 24.8 t-20 -61.15 -42.27 98.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 903' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -63.07 -48.02 80.45 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.579 176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.74 72.42 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -59.62 -54.06 50.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.986 176.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -76.19 -23.75 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.853 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 907' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 7.6 t-20 -65.57 -40.93 93.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.743 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.62 ' HB2' ' CD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.503 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.427 ' HB3' HD21 ' A' ' 836' ' ' LEU . 1.6 m-85 . . . . . 0 C--O 1.223 -0.297 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -66.19 -38.45 88.04 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.634 -167.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.34 -43.04 58.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 109.963 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.42 86.11 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.514 HG22 HD11 ' A' ' 836' ' ' LEU . 34.2 p -65.95 -49.19 68.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.314 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.73 -37.05 62.95 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 808' ' ' VAL . 54.2 m -56.6 -56.35 22.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.127 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.743 HD12 HD12 ' A' ' 836' ' ' LEU . 69.3 mt -61.39 -45.8 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.319 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 902' ' ' ASN . 1.4 mm? -53.16 -45.44 68.44 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.8 m -67.99 -42.41 80.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.489 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 804' ' ' THR . 47.9 t -64.9 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.408 HG21 ' HB2' ' A' ' 898' ' ' ARG . 96.6 m -53.56 -52.99 57.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.448 -176.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.53 -24.66 67.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.176 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -66.72 -24.05 66.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.767 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.413 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.6 mp -61.4 -36.8 75.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.154 177.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.46 -28.01 61.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 7.8 m -71.72 -41.31 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.22 0.533 . . . . 0.0 110.082 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.6 t -82.58 -8.69 59.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.629 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.4 ttm -50.1 111.39 0.51 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.318 -174.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.25 -23.93 3.81 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.622 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.59 121.13 41.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.286 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 879' ' ' ALA . . . -64.54 -33.92 77.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.26 -175.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -77.78 -56.95 3.66 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.105 -0.569 . . . . 0.0 113.707 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 44.3 mm-40 -68.19 -30.93 70.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.629 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 82.2 mtp -63.75 -41.2 98.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.569 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 81.3 t -68.92 -34.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 828' ' ' ILE . 52.9 ttt180 -54.56 -53.42 54.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.302 175.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.533 ' HA ' HD12 ' A' ' 828' ' ' ILE . 77.8 mm-40 -62.29 -40.37 96.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.52 96.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.64 -37.3 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 825' ' ' GLN . 84.7 mt -61.61 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.564 HD22 HG23 ' A' ' 805' ' ' ILE . 52.6 mt -59.35 -46.67 87.99 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.492 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -57.04 -50.49 72.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.23 -44.19 89.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.281 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.543 HG21 ' OG1' ' A' ' 867' ' ' THR . 85.7 m -61.51 -36.21 79.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.8 m -60.25 -45.47 93.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.573 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.643 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.743 HD12 HD12 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -62.42 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.257 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.681 HG13 ' HB1' ' A' ' 860' ' ' ALA . 73.4 t -59.69 -41.0 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.27 -44.45 95.31 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.48 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.977 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 836' ' ' LEU . 76.4 mt -62.79 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 178.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 837' ' ' VAL . 68.8 mttm -57.32 -46.02 83.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 110.772 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.06 82.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.203 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.8 -42.49 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.344 0.593 . . . . 0.0 109.648 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -60.63 -28.41 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -66.52 -35.69 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -81.86 -23.86 56.76 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.65 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 125.93 28.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.066 0.46 . . . . 0.0 110.696 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.4 m -81.58 -22.13 37.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -79.88 105.21 11.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.753 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 853' ' ' SER . 4.3 mp -63.25 -34.64 78.11 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 851' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 855' ' ' LYS . 41.1 mt-10 -60.51 -51.63 68.64 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.518 ' HA ' ' HZ2' ' A' ' 855' ' ' LYS . 62.2 t30 -65.32 -41.09 94.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.625 176.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 850' ' ' LEU . 48.4 t -60.94 -51.26 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.771 -177.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -64.8 -33.39 75.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.144 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 855' ' ' LYS . . . . . 0.518 ' HZ2' ' HA ' ' A' ' 852' ' ' ASN . 9.8 mtmp? -65.68 -37.86 87.66 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.649 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.36 -49.93 74.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.917 0.389 . . . . 0.0 110.475 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.58 -39.75 92.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.2 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.7 m -65.67 -43.25 89.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.553 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.78 -41.73 97.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.917 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.681 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -63.95 -47.28 81.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.8 -46.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.556 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.9 -57.02 14.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.475 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.77 -26.97 58.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.958 0.409 . . . . 0.0 111.268 -176.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.74 -35.19 22.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.312 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 866' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -60.18 -38.1 82.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.543 ' OG1' HG21 ' A' ' 833' ' ' THR . 6.0 m -65.08 -43.57 91.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.881 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.39 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.767 0.318 . . . . 0.0 111.012 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.33 -48.15 76.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.532 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.4 tpt -55.76 -52.73 62.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.574 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 830' ' ' ALA . 44.3 t -60.48 -46.01 96.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.595 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -65.45 -37.63 87.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.546 0.212 . . . . 0.0 111.346 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.39 77.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.503 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.61 96.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -55.42 -50.33 70.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.59 -41.0 66.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.731 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.09 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 0.0 111.066 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 822' ' ' MET . . . -72.78 -64.25 1.0 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.61 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -61.27 -31.52 71.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.346 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -106.59 81.69 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 170.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 22.8 Cg_exo -63.65 -48.53 5.49 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.86 2.373 . . . . 0.0 113.064 -166.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.14 -3.56 36.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.175 -174.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.505 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -77.05 96.15 4.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.138 0.494 . . . . 0.0 110.14 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.45 -22.7 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.349 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -65.66 -39.34 91.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 0.0 109.938 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -72.9 -38.01 67.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.064 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 883' ' ' SER . 76.3 mm-40 -57.84 -45.9 85.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.216 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -60.53 -44.74 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.153 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -62.34 -38.82 90.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 110.321 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.413 HD21 ' CG2' ' A' ' 812' ' ' ILE . 63.4 tp -63.05 -42.5 99.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.77 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.7 mtt180 -56.35 -44.27 79.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -73.72 -39.63 64.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.64 -47.04 73.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.296 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.78 99.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.265 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.85 -36.99 86.13 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.776 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.91 86.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.76 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.453 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -64.04 -46.93 82.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.408 ' HB2' HG21 ' A' ' 809' ' ' THR . 42.4 ttt180 -58.63 -47.04 85.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.649 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 21.8 ttt -58.24 -50.82 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.223 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.69 93.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 111.285 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.592 HG21 ' HB ' ' A' ' 805' ' ' ILE . 51.1 m -63.47 -48.36 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.572 ' HB2' HD11 ' A' ' 806' ' ' LEU . 63.4 t30 -65.16 -28.69 69.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.162 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -72.75 -44.49 61.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.02 74.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.456 . . . . 0.0 110.094 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -55.78 -44.84 78.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.724 174.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -78.52 -23.57 46.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.275 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.65 -8.04 58.27 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.065 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.73 ' CE2' HG12 ' A' ' 840' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 120.53 0.205 . . . . 0.0 111.08 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.8 -38.25 83.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -70.79 -29.17 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.902 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.47 22.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.917 0.389 . . . . 0.0 110.312 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.792 HG21 ' HB2' ' A' ' 905' ' ' ALA . 38.2 p -64.99 -37.24 87.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -46.7 -43.98 18.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 111.023 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 808' ' ' VAL . 18.8 m -63.8 -52.12 61.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.624 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.652 ' HB ' HG21 ' A' ' 901' ' ' THR . 62.7 mt -60.31 -49.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.505 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.514 ' CD1' ' HG3' ' A' ' 898' ' ' ARG . 1.1 mm? -54.92 -39.01 68.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.739 0.304 . . . . 0.0 110.995 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.7 m -76.05 -44.41 39.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.651 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.617 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 97.4 t -68.1 -31.05 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 898' ' ' ARG . 53.5 m -54.01 -53.22 55.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.92 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.8 -24.36 66.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.94 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.617 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 96.0 m-20 -58.3 -29.93 66.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.745 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.72 -38.06 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.615 0.245 . . . . 0.0 110.894 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -72.57 -35.07 67.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.9 0.381 . . . . 0.0 110.703 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.7 m -71.31 -40.65 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.173 0.511 . . . . 0.0 110.658 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 15.0 m -83.08 -2.83 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.316 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.588 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 43.2 ttm -55.38 126.25 24.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.08 0.466 . . . . 0.0 110.744 -178.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 122.57 -30.23 5.2 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.96 117.15 34.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.565 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -66.86 -40.51 87.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.872 -173.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -70.64 -41.33 65.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.936 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.58 -41.71 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.565 0.221 . . . . 0.0 111.253 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -60.54 -45.35 94.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.501 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.654 HG22 ' HA ' ' A' ' 875' ' ' LYS . 70.8 t -66.91 -36.61 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.165 0.507 . . . . 0.0 110.279 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 828' ' ' ILE . 67.6 ttt180 -61.44 -48.51 80.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.64 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -61.49 -40.16 93.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.53 82.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.227 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 827' ' ' ARG . 53.8 mtp180 -68.33 -32.46 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.656 0.265 . . . . 0.0 110.857 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.0 mt -63.6 -41.44 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.574 HD22 HG23 ' A' ' 805' ' ' ILE . 83.2 mt -60.58 -45.56 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.583 174.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.72 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.23 -43.8 97.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.215 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 837' ' ' VAL . 52.7 m -60.89 -33.94 73.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.728 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.3 m -57.7 -39.91 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.04 -41.67 90.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.11 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.548 ' O ' HG13 ' A' ' 840' ' ' ILE . 27.1 mt -66.64 -47.47 72.48 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.725 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 833' ' ' THR . 99.5 t -53.82 -41.3 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.797 0.332 . . . . 0.0 110.411 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -65.74 -49.84 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.94 -54.16 48.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.73 HG12 ' CE2' ' A' ' 798' ' ' TYR . 53.0 mt -56.69 -46.06 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.003 0.43 . . . . 0.0 111.414 -175.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -72.91 -32.87 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.536 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.48 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.958 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 843' ' ' ASP . . . . . 0.441 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.5 t70 -75.63 -27.0 58.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.043 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.41 -23.93 67.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.521 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.41 -23.27 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.94 65.25 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.587 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 847' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 8.8 tp10 -76.55 133.8 39.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.985 0.421 . . . . 0.0 110.198 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 31.8 t -86.76 -15.06 40.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.217 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 849' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 17.7 t70 -89.25 112.47 23.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -31.75 67.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.582 -172.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -64.9 -44.0 91.02 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.408 ' OD1' ' HE3' ' A' ' 855' ' ' LYS . 53.8 t30 -66.58 -39.05 88.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 175.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 853' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 46.6 m -56.61 -47.76 78.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.978 0.418 . . . . 0.0 110.086 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -63.55 -37.07 85.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.965 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 855' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 855' ' ' LYS . 1.7 tmmt? -69.2 -37.87 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.651 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.61 -44.02 87.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.897 0.38 . . . . 0.0 110.36 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 853' ' ' SER . 85.4 mt -57.92 -41.08 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 6.3 p -72.3 -29.25 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.169 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.38 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.939 0.4 . . . . 0.0 110.231 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.19 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.315 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.25 -44.13 92.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.913 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.93 -51.35 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.424 ' HG ' HG23 ' A' ' 833' ' ' THR . 14.0 tp -54.75 -52.09 63.62 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.012 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.14 66.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.3 -175.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.18 -30.47 22.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.384 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.86 75.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 23.8 m -70.94 -41.33 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.084 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.87 -52.53 64.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.712 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -58.62 -43.49 89.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.671 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.45 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.8 tpt -59.63 -56.08 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.332 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.485 HG12 ' HE3' ' A' ' 875' ' ' LYS . 55.9 t -60.58 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.764 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 45.7 mm-40 -64.94 -41.36 95.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.549 0.214 . . . . 0.0 111.101 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 873' ' ' ALA . . . . . 0.423 ' HB1' ' HG3' ' A' ' 889' ' ' ARG . . . -65.87 -41.8 91.17 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.502 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.05 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.834 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.654 ' HA ' HG22 ' A' ' 823' ' ' VAL . 94.8 mttt -54.25 -49.76 68.78 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.05 177.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.15 -44.67 59.52 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.596 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.63 -28.74 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.062 0.458 . . . . 0.0 111.477 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.565 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -78.9 -66.06 0.91 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.826 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.51 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -58.89 -37.52 76.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -107.12 85.54 2.07 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.6 Cg_exo -62.92 -36.99 57.22 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.608 2.205 . . . . 0.0 112.352 -171.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.56 -30.7 57.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.78 -171.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 19.2 p -61.58 110.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 111.644 -174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -71.58 -28.33 63.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.726 -174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.35 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.093 0.473 . . . . 0.0 110.124 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -70.25 -44.36 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.4 mm-40 -57.88 -46.34 85.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -58.56 -50.73 72.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.533 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.423 ' HG3' ' HB1' ' A' ' 873' ' ' ALA . 16.8 ptm180 -69.53 -28.98 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.027 -177.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.97 -46.5 84.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.519 0.2 . . . . 0.0 110.678 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.5 mtt180 -57.9 -46.66 84.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.25 -38.87 85.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.65 -45.83 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.14 98.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.53 -39.11 88.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.509 176.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.07 85.85 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.904 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.09 -46.62 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.647 ' HB2' HG21 ' A' ' 809' ' ' THR . 29.1 ttp180 -59.56 -46.39 89.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 46.4 tpp -61.12 -43.72 98.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.652 HG21 ' HB ' ' A' ' 805' ' ' ILE . 39.5 m -64.73 -50.56 66.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.015 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -51.47 -51.27 56.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.712 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 903' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -66.1 -41.76 90.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.292 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.13 69.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.912 0.387 . . . . 0.0 111.201 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.792 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -65.98 -51.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.87 -22.04 59.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.561 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 907' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 5.6 t-20 -61.35 -21.94 64.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.807 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.402 ' HB2' ' CG ' ' A' ' 798' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.07 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 . . . . . 0 C--O 1.223 -0.314 0 CA-C-O 120.375 0.131 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.41 -42.47 78.95 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.424 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -63.16 -45.81 90.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.106 0.479 . . . . 0.0 110.376 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 801' ' ' ALA . . . . . 0.442 ' HB1' ' HG ' ' A' ' 836' ' ' LEU . . . -64.72 -44.01 91.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.473 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.664 HG21 ' HB2' ' A' ' 905' ' ' ALA . 22.9 p -72.56 -38.21 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.574 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.98 -41.7 83.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.686 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 808' ' ' VAL . 34.2 m -58.09 -52.32 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.295 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.683 HG23 HD22 ' A' ' 829' ' ' LEU . 80.5 mt -59.43 -49.71 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.36 -39.88 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.487 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.4 m -75.22 -43.98 48.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.35 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 804' ' ' THR . 79.6 t -65.18 -37.06 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.039 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 898' ' ' ARG . 92.2 m -55.78 -52.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.34 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.76 -26.12 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 3.8 m-80 -68.78 -26.91 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.873 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.483 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.8 mp -63.72 -41.71 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 813' ' ' PHE . . . . . 0.431 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 92.3 m-85 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.2 t -78.09 -34.76 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -83.81 -3.77 58.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.563 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 83.6 mtp -50.15 116.55 1.9 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.018 0.437 . . . . 0.0 111.394 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.76 -39.7 1.71 Allowed Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -104.06 123.01 46.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.745 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.37 -54.8 27.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.996 -174.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.25 80.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.048 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.64 -47.92 61.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.665 -0.315 . . . . 0.0 111.066 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.601 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 85.9 mtp -62.11 -40.71 96.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.991 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.02 -35.81 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.412 ' O ' HG13 ' A' ' 828' ' ' ILE . 25.1 ttm-85 -56.86 -50.87 71.15 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.078 0.466 . . . . 0.0 110.596 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -62.42 -39.29 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.021 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.26 86.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.027 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -65.27 -41.58 94.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 824' ' ' ARG . 65.9 mt -60.01 -42.31 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.277 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.683 HD22 HG23 ' A' ' 805' ' ' ILE . 90.2 mt -63.84 -44.38 93.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -79.64 -48.5 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.8 81.83 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.43 HG21 ' OG1' ' A' ' 867' ' ' THR . 52.9 m -60.27 -37.1 79.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.6 t -58.55 -50.74 72.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.4 -36.53 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -66.92 -49.35 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 177.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.556 HG13 ' HB1' ' A' ' 860' ' ' ALA . 54.7 t -57.93 -41.39 79.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.208 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -57.74 -44.97 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.397 . . . . 0.0 110.401 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.57 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.924 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 836' ' ' LEU . 68.4 mt -58.39 -45.5 89.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.84 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.2 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.3 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.836 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -35.92 64.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.165 173.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 844' ' ' ALA . . . . . 0.445 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -61.09 -43.94 98.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.59 -20.57 59.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.416 . . . . 0.0 110.567 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -100.66 4.0 56.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.439 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.63 132.64 34.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 44.8 m -85.89 -17.92 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.259 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.76 122.38 28.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.824 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 850' ' ' LEU . 0.3 OUTLIER -70.34 -46.38 64.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.404 -171.741 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.45 -36.03 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.252 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.534 ' HA ' ' HD3' ' A' ' 855' ' ' LYS . 65.7 t30 -73.02 -31.24 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.0 t -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 854' ' ' ARG . 44.8 mtt180 -65.49 -45.37 83.89 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.913 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 855' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 10.1 mtpm? -55.53 -48.0 75.41 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.672 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 844' ' ' ALA . 93.8 mt -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.039 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.28 -45.14 95.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.359 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 26.2 p -67.14 -39.61 86.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.873 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.48 96.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.52 0.2 . . . . 0.0 110.701 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.81 -40.18 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.75 -39.93 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.845 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 88.7 mt -67.45 -47.72 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.093 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -57.58 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.883 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.73 -34.03 67.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 0.0 110.845 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.01 -42.39 26.67 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.723 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.04 68.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 871' ' ' VAL . 22.8 m -67.74 -52.84 32.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.22 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.36 -40.71 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.795 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -57.48 -48.05 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 15.9 ptm -77.25 -30.24 54.35 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.343 -175.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 867' ' ' THR . 70.3 t -65.1 -48.23 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.652 0.263 . . . . 0.0 110.396 177.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 10.8 mm-40 -63.57 -38.57 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.496 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.21 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.783 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.99 99.13 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -53.81 -50.57 65.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.015 0.436 . . . . 0.0 110.594 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.09 86.24 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.874 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.8 -29.64 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.259 0.552 . . . . 0.0 111.388 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.09 -62.91 1.45 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.133 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 879' ' ' ALA . . . . . 0.574 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -60.57 -31.79 70.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.191 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -106.62 82.5 1.03 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 881' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.7 Cg_exo -67.24 -29.52 38.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.718 2.278 . . . . 0.0 112.064 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.6 -30.91 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.97 -175.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.8 t -66.11 107.15 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 -176.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.31 -27.0 52.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.141 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 39.6 tt0 -63.71 -41.15 98.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.145 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.34 -34.28 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.662 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 64.5 mm-40 -64.02 -45.56 88.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.992 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -64.81 -42.79 94.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.871 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 58.8 mtp180 -56.64 -42.88 79.64 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 109.976 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.483 HD21 ' CG2' ' A' ' 812' ' ' ILE . 57.0 tp -63.45 -47.71 80.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.885 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 65.7 mtp180 -51.12 -53.68 32.06 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.296 0.372 . . . . 0.0 110.934 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -56.03 -51.14 68.86 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.343 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.42 74.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.769 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.69 76.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.3 -36.43 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.03 96.64 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.552 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.96 -38.94 93.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.561 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.54 ' HB2' HG21 ' A' ' 809' ' ' THR . 56.0 ttt180 -62.35 -46.53 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 109.583 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.08 -41.76 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.068 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.223 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.439 HG21 ' HB ' ' A' ' 805' ' ' ILE . 40.1 m -62.63 -46.89 86.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 31.9 t-20 -62.08 -32.23 72.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.285 0.564 . . . . 0.0 110.065 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -74.46 -41.2 61.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.83 -27.6 68.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.186 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.664 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -58.82 -36.78 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.186 175.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -78.41 -22.86 47.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.198 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -72.25 -6.99 46.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.704 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.888 178.39 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 798' ' ' TYR . . . . . 0.446 ' HD2' ' HB2' ' A' ' 908' ' ' ALA . 23.0 m-85 . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.672 0.272 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -68.07 -41.65 81.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.604 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -73.56 -49.14 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.9 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 33.7 p -68.64 -42.63 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -49.78 -48.16 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 808' ' ' VAL . 30.2 m -57.56 -51.17 70.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.067 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.569 ' HB ' HG21 ' A' ' 901' ' ' THR . 78.7 mt -62.6 -46.81 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.623 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 806' ' ' LEU . 1.3 mm? -52.17 -44.22 64.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.702 0.286 . . . . 0.0 111.225 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 807' ' ' THR . . . . . 0.554 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 26.9 m -76.29 -43.93 39.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.018 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.577 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 84.9 t -63.05 -28.81 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 O-C-N 122.118 -0.364 . . . . 0.0 110.781 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 898' ' ' ARG . 53.9 m -54.53 -52.79 60.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.096 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.84 ' HB3' HH22 ' A' ' 898' ' ' ARG . 10.0 pt-20 -67.44 -24.51 65.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.788 -176.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.577 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.4 m-20 -59.92 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.433 HG21 HD11 ' A' ' 890' ' ' LEU . 2.9 mp -61.41 -36.11 70.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.82 0.343 . . . . 0.0 110.37 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -75.69 -28.56 58.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.5 m -76.68 -40.26 49.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.216 0.531 . . . . 0.0 110.151 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.581 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 18.9 m -82.14 -3.71 55.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.594 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.7 ttm -56.2 123.2 13.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.063 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.79 -36.61 2.09 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 818' ' ' ASP . . . . . 0.471 ' OD2' ' HG2' ' A' ' 821' ' ' GLU . 16.6 t70 -108.63 131.79 54.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.799 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -65.21 -55.97 15.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.583 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.41 -40.77 78.28 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.35 -0.453 . . . . 0.0 113.235 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 815' ' ' SER . 39.5 mm-40 -62.6 -50.59 70.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 111.207 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.6 mtp -63.33 -41.7 98.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.412 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 875' ' ' LYS . 99.2 t -64.54 -39.33 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 828' ' ' ILE . 36.8 ttp-105 -64.3 -41.94 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.778 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 82.8 mm-40 -61.74 -41.82 98.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.652 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -62.69 -40.21 96.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -64.93 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 824' ' ' ARG . 84.7 mt -61.59 -44.04 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.955 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.417 HD22 HG23 ' A' ' 805' ' ' ILE . 49.0 mt -58.07 -46.36 85.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.068 176.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.401 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.83 -45.43 90.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.952 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.68 -46.72 84.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.35 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.271 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.519 HG21 ' OG1' ' A' ' 867' ' ' THR . 99.3 m -63.49 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.771 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.2 m -61.39 -33.27 73.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.52 -50.05 72.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.811 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 805' ' ' ILE . 20.4 mt -64.34 -47.3 79.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.759 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 833' ' ' THR . 80.1 t -51.99 -47.65 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.728 0.299 . . . . 0.0 110.718 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -72.47 -44.31 62.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.73 78.55 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.23 -43.53 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -67.3 -37.83 84.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.868 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.64 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.74 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.93 -33.09 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.321 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.98 68.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -73.15 -26.77 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.648 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -94.01 -17.88 39.11 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.803 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.12 118.95 11.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.909 0.385 . . . . 0.0 110.359 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.3 p -84.28 -15.73 45.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.712 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.52 115.87 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 850' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 850' ' ' LEU . 21.3 tp -65.83 -43.04 89.71 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.439 -173.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.7 -45.02 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.392 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 852' ' ' ASN . . . . . 0.464 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.4 t30 -68.61 -33.5 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 24.9 t -63.58 -47.91 79.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.31 -41.32 93.24 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.681 174.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -66.99 -42.29 85.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.332 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 90.0 mt -64.8 -43.06 94.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.438 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.24 -42.74 99.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 22.7 t -60.59 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.412 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.7 77.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.33 92.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.945 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.98 -53.07 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.587 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.74 -44.43 90.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.751 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.448 ' HA ' ' HB1' ' A' ' 900' ' ' ALA . 12.7 tp -60.19 -55.75 30.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.333 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.68 55.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.53 -39.83 21.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 866' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.72 -36.97 72.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.519 ' OG1' HG21 ' A' ' 833' ' ' THR . 8.0 m -68.68 -46.16 69.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.331 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.41 77.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.794 -0.185 . . . . 0.0 111.027 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -65.31 -39.13 92.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.648 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.3 tpt -62.44 -53.54 53.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.105 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.519 ' HA ' ' HB1' ' A' ' 826' ' ' ALA . 55.2 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.56 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.99 -38.43 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.173 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.31 84.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.493 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.3 86.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.745 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.618 ' HA ' HG22 ' A' ' 823' ' ' VAL . 57.7 mtpt -57.27 -44.35 83.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.5 -43.38 61.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.46 64.72 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.076 0.465 . . . . 0.0 111.106 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.799 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -81.27 -61.46 1.94 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.8 78.07 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 -175.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -106.64 81.13 0.82 Allowed Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -61.5 -36.41 77.09 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.637 2.225 . . . . 0.0 112.724 -168.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.05 -13.76 59.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.356 -173.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 70.3 m -72.05 103.5 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -174.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.35 -42.14 90.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.783 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 885' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 1.8 mp0 -53.03 -50.07 64.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.664 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -66.54 -36.73 83.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.847 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -58.96 -50.57 73.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.429 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 58.4 tp60 -59.06 -44.74 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 889' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 86.5 mtt180 -57.74 -40.69 80.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.678 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.433 HD11 HG21 ' A' ' 812' ' ' ILE . 54.9 tp -65.18 -43.7 90.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.127 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 98.3 mtt180 -55.85 -51.1 68.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.29 -28.85 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.29 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -72.23 -45.12 61.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.267 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.99 -44.58 96.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.242 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.61 -34.8 77.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.596 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.07 -37.47 87.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.64 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 897' ' ' LEU . . . . . 0.551 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.7 tm? -66.78 -45.98 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.84 HH22 ' HB3' ' A' ' 810' ' ' GLU . 28.7 ttm180 -60.57 -44.31 96.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.09 -45.55 92.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.909 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 900' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -64.74 -45.8 84.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.569 HG21 ' HB ' ' A' ' 805' ' ' ILE . 51.2 m -63.75 -45.93 87.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.886 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 27.8 t-20 -61.75 -39.42 91.54 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.96 98.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.724 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 904' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' A' ' 907' ' ' ASN . . . -63.05 -29.09 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.086 0.469 . . . . 0.0 110.439 175.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -67.94 -32.95 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.817 177.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -78.1 -37.73 45.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.244 173.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 907' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 904' ' ' ALA . 13.7 m-80 -59.43 -27.02 65.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.05 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 908' ' ' ALA . . . . . 0.446 ' HB2' ' HD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.199 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 . . . . . 0 CA--C 1.519 -0.217 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.43 -30.19 69.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.049 -169.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -70.68 -40.17 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.96 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.669 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.588 HG21 ' HB2' ' A' ' 905' ' ' ALA . 22.1 p -68.94 -35.67 77.07 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.41 -45.7 73.01 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.0 m -59.37 -54.21 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.587 HG23 HD22 ' A' ' 829' ' ' LEU . 80.4 mt -60.5 -48.9 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.24 -48.21 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.3 m -68.7 -45.28 72.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.484 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 804' ' ' THR . 80.2 t -61.91 -35.07 65.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 0.0 110.561 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.76 HG21 ' HB2' ' A' ' 898' ' ' ARG . 85.8 m -67.26 -49.2 65.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.83 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.09 -25.52 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.794 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -70.46 -21.69 62.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.716 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 816' ' ' MET . 19.2 mm -60.59 -49.63 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 109.663 176.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 813' ' ' PHE . . . . . 0.407 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 40.8 m-85 -64.2 -28.31 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.69 -178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.0 m -78.08 -31.97 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.1 m -82.84 -11.52 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.489 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.643 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 87.4 mtp -51.42 120.82 5.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.293 0.568 . . . . 0.0 111.263 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.84 -28.18 5.49 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.59 111.0 21.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.449 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.72 -54.24 34.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.844 -172.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.32 -33.27 74.97 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.251 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.1 mm-40 -67.0 -51.8 50.56 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.59 -0.359 . . . . 0.0 110.645 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.643 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.7 mtp -58.25 -43.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.334 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.0 t -63.55 -42.79 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 828' ' ' ILE . 11.8 ttm180 -59.07 -50.08 75.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.474 ' HA ' HD12 ' A' ' 828' ' ' ILE . 85.8 mm-40 -62.23 -34.56 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.41 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 22.2 mtm180 -68.7 -31.75 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 825' ' ' GLN . 69.3 mt -63.31 -41.42 92.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.742 175.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.587 HD22 HG23 ' A' ' 805' ' ' ILE . 48.1 mt -61.9 -45.69 92.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.631 176.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.63 85.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.746 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.46 -53.78 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.778 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.13 97.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.727 -177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.554 HG21 ' OG1' ' A' ' 867' ' ' THR . 98.2 m -61.21 -40.22 93.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.6 m -63.25 -40.56 97.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.607 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.23 -37.81 84.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -69.2 -48.65 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.025 -178.568 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.68 HG13 ' HB1' ' A' ' 860' ' ' ALA . 92.2 t -57.47 -41.42 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.582 -177.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.64 -41.71 91.11 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.69 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.56 85.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.845 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 836' ' ' LEU . 73.3 mt -59.77 -49.77 82.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.826 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 98.3 mttt -61.55 -51.51 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.825 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.94 75.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.911 0.386 . . . . 0.0 111.396 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -78.14 -34.3 49.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 0.0 110.175 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.93 99.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.637 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 845' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.1 mt-10 -67.33 -34.77 78.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.249 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -73.89 -22.02 78.55 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.437 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.87 129.29 39.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 18.5 m -76.63 -26.24 54.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.498 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.3 109.8 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.88 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.741 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.42 -47.25 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.333 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.24 -36.01 82.68 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 23.5 t -60.49 -49.72 76.44 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -60.45 -47.83 84.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.168 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -60.08 -40.77 90.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.472 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -44.73 88.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.716 0.293 . . . . 0.0 110.553 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.53 -38.49 91.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 51.0 m -66.25 -46.09 78.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.35 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.58 97.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.68 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.72 -39.83 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.747 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.13 -48.89 69.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.481 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.1 -44.2 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.445 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.415 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.7 tp -62.88 -57.77 9.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.311 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.99 -25.86 59.12 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.254 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.49 -40.89 17.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.68 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.26 69.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.554 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.3 m -65.74 -49.36 68.71 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.188 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.62 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.763 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.84 -41.73 98.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.561 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.539 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.8 OUTLIER -64.72 -56.23 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.768 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.36 -48.03 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.899 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.81 -28.84 67.11 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.225 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -74.35 -43.36 56.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.88 99.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.964 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -56.41 -38.32 71.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.111 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -80.48 -41.77 11.03 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 877' ' ' ALA . . . . . 0.481 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -67.54 -34.5 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.151 0.5 . . . . 0.0 111.247 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 878' ' ' ALA . . . . . 0.451 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -74.06 -62.43 1.51 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.016 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.46 72.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -107.1 80.66 0.85 Allowed Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 169.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.82 -26.38 38.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.469 2.113 . . . . 0.0 112.283 -171.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.19 -30.82 58.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.605 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 883' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.6 m -68.83 104.06 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.543 -174.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.17 -30.08 69.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.131 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.0 -42.97 81.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 110.08 176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 886' ' ' GLN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 84.7 mm-40 -67.08 -43.45 82.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 887' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 17.1 mm-40 -62.09 -44.17 97.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.51 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 888' ' ' GLN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 25.8 tp60 -60.36 -41.52 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -60.98 -45.57 94.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.339 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 890' ' ' LEU . . . . . 0.425 HD11 ' HE2' ' A' ' 870' ' ' MET . 63.8 tp -64.46 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.461 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 891' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.6 mtt180 -48.13 -51.96 22.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.072 0.463 . . . . 0.0 110.693 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -80.51 -34.36 35.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.986 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 893' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.28 -48.17 62.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.584 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 894' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -70.56 -43.33 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.69 0.281 . . . . 0.0 110.779 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.89 -38.59 89.15 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -62.71 -38.04 95.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.742 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.46 -47.67 83.0 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 898' ' ' ARG . . . . . 0.76 ' HB2' HG21 ' A' ' 809' ' ' THR . 25.0 ttp180 -61.45 -43.92 98.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 178.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -59.73 -47.72 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.846 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.66 96.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.883 0.373 . . . . 0.0 111.037 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 901' ' ' THR . . . . . 0.577 HG21 ' HB ' ' A' ' 805' ' ' ILE . 42.3 m -64.35 -46.52 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.137 0.494 . . . . 0.0 110.688 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 902' ' ' ASN . . . . . 0.529 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 34.4 t-20 -62.27 -41.27 98.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.754 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.55 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.71 -29.5 70.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.289 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 905' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -63.91 -36.68 84.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.974 176.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -78.12 -25.36 47.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 111.022 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.17 -15.87 58.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.759 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.396 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.756 179.356 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.8 mm 57.36 79.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.786 0.803 . . . . 0.0 109.454 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.79 145.61 30.95 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.98 -171.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -84.09 25.54 0.69 Allowed 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.907 2.405 . . . . 0.0 111.768 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -87.47 102.75 14.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.229 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.5 m 60.55 32.87 20.52 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.628 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -103.42 -71.15 0.74 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.276 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -100.95 -28.77 12.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.642 0.734 . . . . 0.0 109.101 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -145.98 -177.73 5.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.137 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 20.1 m -81.85 78.09 8.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.322 0.582 . . . . 0.0 110.634 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 72.26 -176.54 41.05 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.261 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' ALA . . . . . 0.415 ' O ' ' HD3' ' A' ' 794' ' ' PRO . . . -141.71 81.97 1.79 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.43 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -98.56 107.7 3.48 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.36 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.43 ' HD3' ' HA2' ' A' ' 793' ' ' GLY . 44.2 Cg_endo -97.5 178.97 0.42 Allowed 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.138 3.225 . . . . 0.0 112.695 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 60.82 -163.66 0.25 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.895 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -140.37 -74.96 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.716 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.996 ' HB3' ' HB1' ' A' ' 908' ' ' ALA . 13.0 tpp180 -153.47 -48.03 0.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.838 0.352 . . . . 0.0 110.983 178.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.458 ' CZ ' HG12 ' A' ' 840' ' ' ILE . 15.5 m-85 -106.16 16.14 25.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.239 -177.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.26 -41.0 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.418 -165.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -63.31 -42.11 99.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.715 0.293 . . . . 0.0 110.72 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' ALA . . . . . 0.554 ' HB3' HD21 ' A' ' 836' ' ' LEU . . . -76.95 -40.5 46.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.2 p -65.68 -39.51 91.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.584 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -54.47 -44.94 73.03 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.203 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.8 m -58.79 -54.11 50.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.456 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.693 ' HB ' HG21 ' A' ' 901' ' ' THR . 74.2 mt -60.72 -50.17 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.697 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -55.5 -38.33 69.02 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.607 0.241 . . . . 0.0 111.325 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.6 m -76.74 -50.08 14.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.485 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.589 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 86.3 t -61.07 -32.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.301 -176.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 71.1 m -53.34 -47.58 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.258 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.95 -26.86 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.151 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 89.6 m-20 -67.98 -28.58 67.56 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.473 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.594 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -67.5 -37.02 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.04 0.447 . . . . 0.0 110.382 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -73.71 -28.04 61.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.101 0.476 . . . . 0.0 110.199 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 25.4 t -76.33 -42.74 43.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 31.8 p -80.69 -7.35 59.3 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.708 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.7 ttm -48.02 110.56 0.34 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.41 -32.13 2.88 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.0 t70 -101.31 110.36 22.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.747 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.76 -52.58 59.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.378 -172.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.72 -46.12 76.36 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.271 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 37.9 tt0 -72.11 -35.51 69.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.949 0.375 . . . . 0.0 111.409 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 81.2 mtp -62.67 -49.83 73.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 111.012 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 875' ' ' LYS . 56.1 t -62.73 -34.92 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 821' ' ' GLU . 40.2 ttm180 -55.19 -47.31 75.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.864 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.594 ' HB2' HG13 ' A' ' 812' ' ' ILE . 72.3 mm-40 -64.3 -40.07 95.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.74 93.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.052 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.1 mtt180 -61.9 -36.05 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.319 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.1 mt -66.43 -43.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.237 177.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.634 HD22 HG23 ' A' ' 805' ' ' ILE . 28.0 mt -60.03 -46.22 90.25 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.772 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.94 -48.09 82.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.47 -49.76 76.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.719 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.08 94.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.479 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.549 HG23 ' HG ' ' A' ' 863' ' ' LEU . 87.9 m -64.44 -36.61 84.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.491 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.2 m -60.13 -36.78 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.61 -47.38 85.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.969 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 801' ' ' ALA . 49.7 mt -68.34 -46.2 70.81 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.213 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 833' ' ' THR . 92.0 t -52.23 -44.17 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.409 . . . . 0.0 111.081 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -76.4 -33.01 58.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.036 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -71.38 -50.66 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.458 HG12 ' CZ ' ' A' ' 798' ' ' TYR . 73.5 mt -54.09 -40.83 47.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.405 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.97 -51.78 68.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.9 77.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.23 -35.81 71.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.251 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.02 96.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.805 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.3 -17.14 63.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.702 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.5 -19.44 62.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.083 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.452 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 5.9 tp10 -72.08 145.46 48.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 11.2 t -97.0 36.87 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.907 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.452 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 23.8 t70 -143.71 133.84 24.32 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.026 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.611 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -68.06 -56.09 10.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.486 -178.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -58.68 -45.7 88.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.44 -35.48 81.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.9 t -67.5 -43.49 80.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 79.8 mtp180 -61.11 -40.14 92.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.376 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.38 -45.59 90.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.12 -48.76 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.67 -38.4 78.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.77 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.8 t -68.53 -43.11 77.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.348 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.58 90.23 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.79 99.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 110.601 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.7 -42.6 97.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.749 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.34 -49.25 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.178 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.549 ' HG ' HG23 ' A' ' 833' ' ' THR . 12.1 tp -57.15 -56.87 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.6 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.93 -29.21 55.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.653 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.86 -37.56 19.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.355 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 866' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.63 -38.6 75.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 7.6 m -68.12 -47.91 66.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.066 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.32 -47.61 78.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.42 -43.03 95.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.633 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.464 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.6 OUTLIER -59.24 -55.78 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.47 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.484 HG12 ' HE3' ' A' ' 875' ' ' LYS . 53.7 t -57.06 -44.92 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.617 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.67 -38.29 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 0.0 111.102 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.98 -40.07 72.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.543 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.89 97.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.56 ' HA ' HG22 ' A' ' 823' ' ' VAL . 96.7 mttt -54.97 -50.09 69.8 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.4 -41.58 77.11 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.871 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.524 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.01 -26.66 65.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.88 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -79.55 -61.42 2.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.563 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.4 75.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -106.54 82.03 0.94 Allowed Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.75 -51.49 2.37 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.779 2.319 . . . . 0.0 113.578 -167.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.66 -17.49 59.11 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 61.5 m -59.41 123.76 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.352 0.596 . . . . 0.0 112.186 -174.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.43 -54.55 22.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.756 -173.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 889' ' ' ARG . 46.6 mt-10 -59.75 -39.69 85.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.351 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.524 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 79.9 mm-40 -60.04 -42.95 95.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.8 mm-40 -65.41 -47.82 74.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.536 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -58.95 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.859 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 885' ' ' GLU . 16.0 ptp180 -62.56 -34.34 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.28 -46.25 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.566 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.9 mtt180 -53.01 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -74.01 -40.95 62.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.457 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.25 -41.55 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.134 -179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 894' ' ' ALA . . . . . 0.464 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -66.73 -43.35 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.945 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 895' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 899' ' ' MET . 44.8 mt-10 -67.58 -35.04 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.491 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.37 98.72 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.512 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.472 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -62.14 -39.26 92.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.85 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -62.83 -45.16 93.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.228 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 899' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 895' ' ' GLU . 26.4 mmt -60.41 -53.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.838 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.33 84.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.524 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.693 HG21 ' HB ' ' A' ' 805' ' ' ILE . 56.8 m -65.64 -45.54 82.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.467 ' HB2' HD11 ' A' ' 806' ' ' LEU . 64.0 t30 -65.6 -31.11 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.2 0.524 . . . . 0.0 110.18 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.45 61.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.649 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.58 -36.82 74.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.025 0.441 . . . . 0.0 110.125 176.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.357 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -75.3 -37.43 60.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.394 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -82.31 -4.97 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.874 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.996 ' HB1' ' HB3' ' A' ' 797' ' ' ARG . . . -49.95 127.77 17.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 797' ' ' ARG . 49.9 mm -71.14 110.19 3.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.315 0.579 . . . . 0.0 111.802 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -114.03 151.15 32.89 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.689 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp . . . . . 0 C--O 1.247 0.938 0 CA-C-O 117.807 -1.092 . . . . 0.0 110.688 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 48.2 mm -71.13 109.6 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.866 0.333 . . . . 0.0 110.211 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -107.04 95.86 13.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.77 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.69 165.16 32.16 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.579 2.186 . . . . 0.0 112.173 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.62 128.09 34.3 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 18.4 m 61.36 66.97 0.82 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.531 0.682 . . . . 0.0 110.396 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -73.53 136.43 44.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.236 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -88.66 92.88 9.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.787 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -117.03 -39.87 3.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.381 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 28.4 m -72.29 109.01 5.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.213 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 73.16 33.6 59.09 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.079 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -79.02 164.15 24.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.958 0.409 . . . . 0.0 111.265 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -101.35 -148.44 21.63 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.697 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.68 111.22 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.041 2.494 . . . . 0.0 112.545 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -80.78 95.99 6.83 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -82.73 -69.39 1.39 Allowed Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.529 ' HA ' ' NE ' ' A' ' 797' ' ' ARG . 3.1 tpm_? -173.65 -39.41 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.777 0.322 . . . . 0.0 111.057 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.499 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 3.8 m-85 -108.41 -13.62 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.719 -171.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.57 -23.99 64.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -167.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -73.91 -48.06 33.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.82 76.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.017 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 11.8 p -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.36 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.04 -40.76 59.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 808' ' ' VAL . 66.1 m -69.3 -48.72 60.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.312 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.73 HD12 HD12 ' A' ' 836' ' ' LEU . 65.5 mt -60.97 -45.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.341 -177.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.8 mm? -55.75 -44.73 77.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.644 0.259 . . . . 0.0 110.51 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 807' ' ' THR . . . . . 0.445 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 31.1 m -65.15 -47.14 78.1 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.393 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 804' ' ' THR . 60.1 t -62.63 -35.39 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 110.551 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.44 HG21 ' HB2' ' A' ' 898' ' ' ARG . 95.8 m -58.63 -47.96 82.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 111.145 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 35.9 mt-10 -59.98 -26.51 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.525 ' HB3' HE21 ' A' ' 825' ' ' GLN . 6.3 m-80 -69.89 -23.13 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.798 -175.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.494 ' CG2' HD21 ' A' ' 890' ' ' LEU . 3.0 mp -65.18 -41.99 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.492 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.28 -27.58 65.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.7 m -76.1 -28.35 57.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.313 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 32.1 m -83.83 -3.48 57.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.3 mmt -47.54 124.3 6.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.157 0.503 . . . . 0.0 111.738 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.36 -67.53 0.54 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.782 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -86.02 128.97 34.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.622 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.503 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.44 -53.94 40.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -176.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.41 57.4 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 113.176 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.67 -52.24 64.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 111.254 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.569 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 84.4 mtp -62.99 -45.15 93.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.284 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.581 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 77.3 t -61.18 -41.58 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.459 ' O ' HG13 ' A' ' 828' ' ' ILE . 40.1 ttp180 -59.67 -46.25 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.822 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.525 HE21 ' HB3' ' A' ' 811' ' ' ASN . 10.2 mm100 -62.88 -39.12 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.789 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.85 89.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 18.1 mtp180 -68.54 -38.52 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.212 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 824' ' ' ARG . 72.9 mt -62.63 -41.91 94.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.977 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.9 -45.96 85.65 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.626 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.06 91.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -66.56 -49.04 67.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.36 96.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.281 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.508 HG21 ' OG1' ' A' ' 867' ' ' THR . 80.3 m -66.72 -34.77 78.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 22.6 t -60.7 -40.0 90.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.096 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.11 -42.71 95.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.28 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.73 HD12 HD12 ' A' ' 805' ' ' ILE . 4.5 mt -71.04 -49.07 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.674 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 833' ' ' THR . 85.4 t -53.65 -46.66 61.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 0.0 111.267 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -64.49 -39.02 93.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.919 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -70.05 -43.99 70.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.6 mt -58.97 -48.09 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.715 0.293 . . . . 0.0 110.785 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.04 -40.44 93.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.753 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.44 74.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.156 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.31 -31.39 65.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -64.72 -35.51 81.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.891 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.32 -38.07 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 110.134 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.5 -33.45 64.0 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.29 116.82 3.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.867 0.365 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.3 m -72.99 -23.78 60.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.739 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.442 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 11.9 t70 -75.32 123.77 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.015 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 850' ' ' LEU . 1.3 tm? -68.38 -50.72 51.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.407 -173.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.442 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 8.8 pt-20 -65.42 -37.63 87.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.517 -176.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 49.8 t30 -71.53 -31.2 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.947 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 t -63.07 -49.62 73.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.178 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.391 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.25 -48.99 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.645 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 844' ' ' ALA . 92.7 mt -60.81 -47.95 83.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.909 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.09 -38.43 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 28.7 m -66.3 -38.73 88.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.81 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.44 88.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.873 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.18 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.94 -44.87 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.3 -57.25 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.564 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.64 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.873 0.368 . . . . 0.0 111.441 -174.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -85.38 -34.96 21.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.15 72.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.934 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.508 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.1 m -69.79 -45.68 67.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.789 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.56 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -68.93 -34.42 75.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.381 . . . . 0.0 110.394 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.516 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.8 tpt -63.86 -48.45 76.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.57 176.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 867' ' ' THR . 55.5 t -59.6 -42.56 88.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.109 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.77 -37.85 87.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.324 . . . . 0.0 111.056 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 873' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -68.28 -45.36 73.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.57 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.74 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.934 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -54.79 -50.91 67.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.854 0.359 . . . . 0.0 110.763 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.61 -42.49 80.39 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.81 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.61 -30.3 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.989 0.423 . . . . 0.0 111.223 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -81.23 -62.93 1.52 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.77 71.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.266 -174.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -106.99 78.86 0.62 Allowed Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.67 -35.97 26.64 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.535 2.156 . . . . 0.0 112.547 -169.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.55 -6.86 53.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.829 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.55 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 14.5 t -83.86 99.16 10.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.927 0.394 . . . . 0.0 110.407 -177.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.74 -29.76 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.9 OUTLIER -64.42 -40.72 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -64.92 -36.33 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.993 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 883' ' ' SER . 68.2 mm-40 -62.73 -41.54 99.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 110.043 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -65.24 -41.7 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.585 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 89.3 mtt180 -57.81 -43.76 85.92 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.078 0.466 . . . . 0.0 110.272 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 812' ' ' ILE . 58.6 tp -64.21 -41.12 97.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.952 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 80.8 mtp180 -54.1 -52.22 61.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.051 0.453 . . . . 0.0 110.487 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.89 -37.48 79.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.384 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.02 -44.29 73.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.569 0.223 . . . . 0.0 111.283 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.19 93.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.05 -42.75 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.382 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.64 -46.93 90.97 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.401 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.28 -45.14 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.311 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.44 ' HB2' HG21 ' A' ' 809' ' ' THR . 54.1 ttt180 -59.18 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.119 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.18 -45.14 94.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.096 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.28 86.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.05 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.459 HG21 ' CG2' ' A' ' 805' ' ' ILE . 33.4 m -65.59 -46.75 78.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.987 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 36.0 t-20 -60.88 -38.58 86.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.249 0.547 . . . . 0.0 109.761 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -68.54 -43.76 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.812 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.09 70.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -60.64 -37.47 81.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.707 175.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 906' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 910' ' ' LYS . 62.8 mm-40 -74.19 -23.74 59.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.14 -6.52 39.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.414 ' O ' ' HB ' ' A' ' 909' ' ' ILE . . . -82.41 52.32 2.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 908' ' ' ALA . 78.0 mt 71.81 116.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.198 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 906' ' ' GLN . 30.6 mmmt -117.64 113.44 21.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.303 176.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.683 176.945 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.991 -0.443 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 6.5 tp -89.64 117.89 33.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.712 0.292 . . . . 0.0 110.432 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 29.1 t70 66.09 114.21 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.997 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.06 100.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.835 2.356 . . . . 0.0 112.292 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 785' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' A' ' 787' ' ' ALA . 45.1 t80 -89.93 68.96 7.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.256 -176.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 26.9 p 57.94 -13.21 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 785' ' ' PHE . . . 56.71 86.78 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.318 0.647 . . . . 0.0 111.67 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 64.95 27.83 12.67 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.642 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 58.81 -90.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.761 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 12.8 t -85.66 -7.32 58.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.397 0.618 . . . . 0.0 110.578 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 103.89 -127.95 9.32 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.647 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -174.29 -16.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.604 0.24 . . . . 0.0 111.519 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 68.71 -121.86 13.1 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.085 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.64 153.96 52.0 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.623 2.215 . . . . 0.0 111.192 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 800' ' ' GLN . . . -72.45 92.23 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.801 0.334 . . . . 0.0 111.572 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 796' ' ' GLY . . . . . 0.545 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . 52.2 -134.35 37.09 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.236 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -123.14 -34.97 3.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.634 0.254 . . . . 0.0 110.819 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.636 ' OH ' ' HB3' ' A' ' 843' ' ' ASP . 4.4 m-85 -123.32 1.85 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 173.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 799' ' ' ASP . . . . . 0.545 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 3.1 m-20 -68.83 -34.75 76.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.261 -165.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 800' ' ' GLN . . . . . 0.639 ' HB2' ' HB3' ' A' ' 795' ' ' ALA . 20.9 tm0? -72.53 -46.24 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.47 91.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.235 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 15.7 p -62.9 -53.3 56.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.99 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -50.7 -42.95 57.6 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.362 0.414 . . . . 0.0 110.672 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 808' ' ' VAL . 88.3 m -56.75 -53.14 61.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.702 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.876 HD12 HD12 ' A' ' 836' ' ' LEU . 67.2 mt -58.31 -45.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.0 OUTLIER -53.12 -50.37 64.61 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.765 0.317 . . . . 0.0 110.633 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.1 m -64.69 -47.6 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 804' ' ' THR . 99.1 t -59.57 -39.69 80.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 88.7 m -55.13 -48.19 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.23 0.538 . . . . 0.0 111.411 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 37.3 mt-10 -62.01 -25.72 67.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.714 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.33 -25.69 62.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.602 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -64.19 -35.92 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.136 0.493 . . . . 0.0 110.267 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -68.13 -27.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.183 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.8 m -78.18 -26.3 47.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.311 175.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 50.6 m -81.18 -4.56 55.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.8 mmt -49.32 109.76 0.3 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.762 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.03 -25.7 5.46 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.707 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 818' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.4 t70 -117.8 106.63 13.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.448 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.33 -48.62 77.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.564 -174.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.01 -47.23 60.37 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 113.203 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.419 ' HG3' ' NH1' ' A' ' 824' ' ' ARG . 36.3 tt0 -68.85 -37.18 78.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.989 0.394 . . . . 0.0 111.489 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 92.2 mtp -58.42 -43.75 88.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.353 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 60.9 t -69.89 -36.17 68.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.445 ' O ' HG13 ' A' ' 828' ' ' ILE . 28.9 ttm180 -55.67 -51.93 65.59 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.602 ' HB2' HG13 ' A' ' 812' ' ' ILE . 86.1 mm-40 -63.19 -36.15 82.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.125 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.99 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.853 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.3 mtt180 -61.96 -39.1 90.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.998 0.427 . . . . 0.0 110.266 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 824' ' ' ARG . 62.8 mt -62.36 -41.93 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.355 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.492 HD22 HG23 ' A' ' 805' ' ' ILE . 28.8 mt -60.05 -46.22 90.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.088 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.47 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.86 -37.51 87.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.247 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.69 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.534 HG21 ' OG1' ' A' ' 867' ' ' THR . 86.1 m -62.62 -36.63 83.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 95.2 p -61.47 -47.81 83.99 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.387 0.613 . . . . 0.0 109.858 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.83 -34.28 76.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.875 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.876 HD12 HD12 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -63.45 -46.68 85.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.18 178.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 833' ' ' THR . 84.2 t -56.93 -35.42 47.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -59.59 -50.5 73.66 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.921 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 860' ' ' ALA . 69.6 mt -60.28 -51.01 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.813 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.83 -46.31 89.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.976 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.49 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.636 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.7 t70 -78.42 -29.84 47.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.038 0.447 . . . . 0.0 110.071 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.23 85.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.6 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -74.6 -26.35 67.76 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.58 146.99 42.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 22.3 m -101.33 -20.71 15.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -77.95 114.86 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.3 OUTLIER -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.653 -174.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 855' ' ' LYS . 66.3 t30 -66.71 -32.06 73.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.085 0.469 . . . . 0.0 109.924 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.0 m -63.12 -44.2 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.845 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 48.5 mtp180 -63.2 -37.34 86.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 852' ' ' ASN . 22.7 ttmm -54.33 -52.47 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.48 -48.71 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.139 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.66 -48.06 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.562 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 16.3 t -63.14 -38.87 92.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.92 95.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 840' ' ' ILE . . . -63.4 -34.88 78.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.001 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -72.28 -44.16 63.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.8 -44.16 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.167 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 8.0 tp -60.02 -58.08 10.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.446 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -55.91 -31.95 63.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.1 0.476 . . . . 0.0 111.46 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.87 -31.45 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.221 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 866' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -62.47 -36.89 83.91 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.534 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.7 m -64.86 -48.72 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.31 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.77 77.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.336 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.08 -36.05 81.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -51.33 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.956 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 867' ' ' THR . 58.9 t -57.9 -46.97 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.31 -39.0 81.65 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 873' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -70.89 -44.02 67.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.762 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.13 -47.02 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -56.1 -45.64 79.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.601 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.21 56.17 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.929 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -67.26 -27.71 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -83.73 -66.75 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.038 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.554 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 -174.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -106.42 83.03 1.08 Allowed Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 11.8 Cg_exo -69.51 -29.61 24.77 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.698 2.265 . . . . 0.0 112.146 -172.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.16 -22.55 55.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.386 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -66.46 111.94 3.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.52 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -72.67 -39.97 66.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.968 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.8 OUTLIER -66.28 -33.02 74.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.827 -176.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.8 mm-40 -68.73 -42.48 77.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.579 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.05 -48.67 77.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.578 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.6 mtt180 -57.87 -43.65 86.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.476 ' HA ' ' HB1' ' A' ' 873' ' ' ALA . 52.3 tp -62.49 -46.29 89.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.3 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -56.33 -48.96 75.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.877 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.256 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.89 81.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.13 80.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.105 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.91 -30.78 69.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.27 -43.01 90.0 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -62.85 -44.58 95.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -57.49 -46.84 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.804 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 45.2 ttp -62.33 -46.05 90.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.343 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.5 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 111.303 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 805' ' ' ILE . 22.5 m -65.02 -44.17 90.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.503 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 906' ' ' GLN . 25.6 t-20 -58.6 -38.34 77.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.069 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.52 87.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.032 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.75 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.224 0.535 . . . . 0.0 110.348 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -65.45 -34.91 79.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 906' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 902' ' ' ASN . 76.3 mt-30 -76.31 -43.04 43.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.34 -22.6 66.84 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.295 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -55.61 115.74 2.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.58 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 909' ' ' ILE . 3.0 mp -52.18 104.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.287 0 O-C-N 124.083 0.864 . . . . 0.0 112.473 -169.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -138.13 115.08 10.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.656 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 911' ' ' LYS . . . . . 0.534 ' NZ ' ' HB3' ' A' ' 911' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.816 -0.612 . . . . 0.0 110.366 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 38.3 mt 54.89 68.67 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.596 0.712 . . . . 0.0 109.431 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' ASP . . . . . 0.489 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 10.9 m-20 -113.46 139.32 23.13 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.614 -173.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 784' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 6.0 Cg_exo -77.82 145.75 22.97 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 123.029 2.486 . . . . 0.0 111.166 175.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 785' ' ' PHE . . . . . 0.466 ' C ' ' H ' ' A' ' 787' ' ' ALA . 50.1 t80 -144.6 162.61 36.19 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -176.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 12.6 p -73.94 32.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.12 0.485 . . . . 0.0 111.452 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 785' ' ' PHE . . . -72.73 101.48 3.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.226 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -88.3 110.01 20.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.914 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -70.3 136.62 49.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.765 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 54.5 m -75.11 120.66 20.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.672 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 149.02 -40.23 0.9 Allowed Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -113.81 93.43 4.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.019 0.438 . . . . 0.0 110.44 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -102.35 161.88 17.02 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.382 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.09 102.68 0.39 Allowed 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.462 2.108 . . . . 0.0 112.018 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -71.17 152.39 43.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.692 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 796' ' ' GLY . . . . . 0.681 ' HA2' ' HE3' ' A' ' 910' ' ' LYS . . . 60.46 -100.04 0.21 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.104 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.866 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 44.4 mmt-85 -148.81 -42.57 0.15 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.002 0.429 . . . . 0.0 110.489 174.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -128.63 28.17 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.225 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.06 -33.09 74.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.83 -50.64 63.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.11 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.541 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.701 HG22 HD11 ' A' ' 836' ' ' LEU . 21.6 p -62.71 -41.94 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -51.67 -41.89 61.72 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.0 m -58.56 -51.07 71.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 836' ' ' LEU . 43.5 mt -66.05 -50.85 66.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.763 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.6 mm? -52.98 -41.21 64.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 88.6 m -71.05 -52.81 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.675 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.467 HG11 ' HB ' ' A' ' 828' ' ' ILE . 87.8 t -63.96 -36.2 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.629 HG21 ' HB2' ' A' ' 898' ' ' ARG . 98.3 m -55.2 -54.11 47.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 807' ' ' THR . 11.4 pt-20 -62.28 -25.33 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.845 0.355 . . . . 0.0 110.679 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -67.54 -21.52 65.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.713 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.58 -33.07 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.26 0.552 . . . . 0.0 109.963 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -75.57 -27.37 58.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.691 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.3 m -76.62 -37.73 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.8 p -82.84 -4.57 58.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.355 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.535 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -51.94 107.73 0.22 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.608 0.568 . . . . 0.0 110.824 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.11 -30.4 3.06 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -98.97 114.04 26.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.568 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -52.2 59.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.871 -173.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.25 97.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.401 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 31.1 tt0 -73.33 -38.16 65.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.72 -0.283 . . . . 0.0 111.651 -174.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.535 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 86.6 mtp -60.14 -44.25 95.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 875' ' ' LYS . 59.9 t -65.54 -39.06 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.952 0.406 . . . . 0.0 110.2 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 824' ' ' ARG . 21.4 ttt180 -58.57 -45.85 88.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.833 176.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 86.0 mm-40 -60.15 -38.93 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.3 86.24 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 98.4 mtt180 -61.06 -39.64 90.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.467 ' HB ' HG11 ' A' ' 808' ' ' VAL . 53.8 mt -64.91 -43.14 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.089 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.42 HD22 HG23 ' A' ' 805' ' ' ILE . 67.6 mt -60.97 -41.91 97.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.73 -50.25 72.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.686 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -62.23 -49.88 73.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.51 91.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.373 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.563 ' HA ' HD11 ' A' ' 805' ' ' ILE . 97.0 m -63.53 -37.5 87.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.531 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 25.0 m -61.62 -48.6 80.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.058 0.456 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.83 -42.73 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.865 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 805' ' ' ILE . 0.6 OUTLIER -63.52 -53.06 57.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.683 -178.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 864' ' ' ALA . 79.7 t -56.85 -44.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.8 -36.78 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.736 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.48 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.903 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.3 mt -63.85 -49.86 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 67.7 mttm -55.19 -43.31 74.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.885 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.63 96.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.343 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -78.06 -27.59 48.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 110.723 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.95 -23.75 66.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 110.368 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 845' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 13.4 mm-40 -71.75 -21.24 61.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.855 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -80.72 -9.05 86.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.84 131.23 42.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 0.0 110.2 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 38.9 m -91.06 -11.65 38.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -80.41 111.32 16.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.76 -42.6 93.62 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.209 0.318 . . . . 0.0 111.584 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.68 -38.61 83.95 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 121.065 0.459 . . . . 0.0 110.041 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.633 HD21 HG13 ' A' ' 909' ' ' ILE . 64.9 t30 -72.32 -33.88 67.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.188 176.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 47.3 m -61.28 -51.5 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.078 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -67.56 -25.52 65.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.748 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -63.42 -51.69 64.7 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 109.996 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.449 HD21 HG12 ' A' ' 909' ' ' ILE . 87.0 mt -61.16 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.379 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.6 mt -61.71 -36.96 82.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.132 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 66.6 m -65.2 -43.78 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.397 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.87 88.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.698 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -65.46 -41.46 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.096 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -68.32 -41.15 81.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.68 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.04 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.124 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.55 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -60.0 -57.81 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.743 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.727 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.11 -26.71 50.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.254 0.55 . . . . 0.0 111.374 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.1 -35.0 22.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.697 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.73 72.99 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.464 ' OG1' HG21 ' A' ' 833' ' ' THR . 6.2 m -68.6 -41.39 79.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.244 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.98 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.671 0.272 . . . . 0.0 110.494 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 869' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 893' ' ' ALA . 24.7 ttmm -57.89 -47.16 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.439 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.3 tpt -54.44 -55.14 31.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.293 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.9 t -57.9 -49.28 81.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.426 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.62 -45.91 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 111.228 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.64 83.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.98 -46.76 87.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.661 ' HA ' HG22 ' A' ' 823' ' ' VAL . 54.3 mtpt -59.59 -37.99 80.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 111.231 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -75.76 -44.95 18.56 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.694 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.39 -31.46 70.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -72.28 -63.84 1.07 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.376 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.497 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -55.83 -41.09 73.74 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.537 0.523 . . . . 0.0 111.55 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.35 88.96 3.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.9 Cg_exo -57.61 -44.14 44.34 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.866 2.378 . . . . 0.0 112.997 -170.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -76.99 -2.54 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -173.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 81.3 p -71.54 92.16 1.11 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.594 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.79 -28.53 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.76 -47.04 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -67.48 -34.65 77.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 883' ' ' SER . 81.4 mm-40 -60.84 -45.47 94.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.437 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -69.76 -39.3 76.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.507 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -60.75 -39.61 89.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.267 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.05 -39.25 93.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -65.8 -25.28 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.311 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -80.87 -47.57 13.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.532 . . . . 0.0 110.472 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 869' ' ' LYS . . . -67.25 -51.65 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.346 -174.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 0.0 111.301 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.11 -35.6 74.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.727 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.26 97.04 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.361 173.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.37 -46.15 89.92 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.629 ' HB2' HG21 ' A' ' 809' ' ' THR . 63.5 ttp85 -60.21 -47.94 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.637 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -61.11 -48.83 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.442 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.91 87.97 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.575 HG21 ' HB ' ' A' ' 805' ' ' ILE . 64.0 m -63.65 -49.17 74.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.169 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.73 -40.46 88.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 0.0 109.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 903' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -62.73 -48.98 76.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.58 75.74 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -56.88 -53.43 57.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.121 177.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -78.93 -23.05 44.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.826 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 907' ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 8.3 t-20 -69.08 -15.86 63.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.027 0.441 . . . . 0.0 110.466 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.866 ' HB1' ' HB2' ' A' ' 797' ' ' ARG . . . -50.1 121.27 5.25 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.671 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 0.633 HG13 HD21 ' A' ' 852' ' ' ASN . 51.3 mm -70.65 118.0 14.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.341 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.681 ' HE3' ' HA2' ' A' ' 796' ' ' GLY . 14.3 mmmm -82.77 105.17 13.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.412 -176.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 911' ' ' LYS . . . . . 0.516 ' HG2' HG22 ' A' ' 909' ' ' ILE . 14.3 mmmm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.237 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 33.9 pt -117.64 178.44 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.664 0.268 . . . . 0.0 110.594 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -111.83 100.02 47.19 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.533 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -92.69 11.52 2.15 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.194 2.596 . . . . 0.0 112.082 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -78.75 -45.54 20.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.351 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 18.2 m -114.4 73.36 0.82 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.382 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -173.83 97.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.424 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -136.16 108.23 7.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.431 0.634 . . . . 0.0 110.474 177.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -146.87 -177.55 5.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.432 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 22.3 m -145.85 120.15 9.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.993 0.425 . . . . 0.0 110.41 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -138.23 -145.17 4.79 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 843' ' ' ASP . . . 66.08 113.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.033 0.49 . . . . 0.0 112.001 177.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 150.89 -121.31 1.21 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.448 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.63 105.85 2.02 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.692 2.261 . . . . 0.0 112.026 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.734 ' H ' ' HA ' ' A' ' 910' ' ' LYS . . . -64.79 132.08 48.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.231 0.539 . . . . 0.0 110.598 176.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -179.68 -36.7 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -56.87 -41.48 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.923 0.868 . . . . 0.0 108.896 170.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.46 ' OH ' ' HB2' ' A' ' 843' ' ' ASP . 26.6 m-85 -72.18 -39.54 68.58 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.726 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.44 -41.81 84.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.99 -46.22 71.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.515 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.836 HG21 ' HB2' ' A' ' 905' ' ' ALA . 43.1 p -69.21 -37.23 77.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.193 -178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.64 -45.23 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.022 0.439 . . . . 0.0 110.054 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 808' ' ' VAL . 30.0 m -61.36 -55.41 31.92 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.632 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.7 HG23 HD22 ' A' ' 829' ' ' LEU . 88.0 mt -56.0 -51.29 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.395 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.4 mp -52.1 -48.74 64.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -70.44 -42.99 70.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.47 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.482 ' O ' HD12 ' A' ' 812' ' ' ILE . 93.2 t -65.14 -36.69 78.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 122.211 -0.306 . . . . 0.0 110.619 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.577 ' HA ' HD13 ' A' ' 812' ' ' ILE . 81.5 m -56.01 -54.65 42.34 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.778 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.23 -25.58 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 0.0 109.897 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.6 -20.82 61.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.905 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 809' ' ' THR . 1.7 mp -58.19 -42.97 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.5 -34.85 78.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.3 m -73.42 -30.32 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.2 m -83.4 -3.59 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.661 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.579 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 82.6 mtp -58.55 103.83 0.18 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.303 0.573 . . . . 0.0 111.359 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.12 -46.95 0.45 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.0 t70 -99.0 117.35 33.32 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.447 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.91 -54.54 33.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.445 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.22 -38.58 78.27 Favored Glycine 0 CA--C 1.521 0.443 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.958 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 35.1 tt0 -69.2 -33.96 74.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -178.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 77.3 mtp -66.0 -40.97 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.514 176.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 875' ' ' LYS . 59.4 t -68.08 -33.89 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.187 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.432 ' O ' HG13 ' A' ' 828' ' ' ILE . 51.6 ttp180 -53.25 -48.11 68.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.33 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.5 -42.89 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.368 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.0 84.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.049 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 88.6 mtt180 -64.12 -38.37 90.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.469 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 824' ' ' ARG . 66.6 mt -63.56 -46.38 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.7 HD22 HG23 ' A' ' 805' ' ' ILE . 79.7 mt -61.53 -43.97 97.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.167 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.72 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.772 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -67.2 -49.41 64.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.12 97.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.588 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 837' ' ' VAL . 98.7 m -62.24 -32.41 73.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.02 0.438 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.1 m -61.07 -38.0 84.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.085 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.81 -40.48 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 110.419 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 49.3 mt -64.34 -45.45 87.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 833' ' ' THR . 88.3 t -55.61 -40.96 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.71 0.291 . . . . 0.0 110.695 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.28 -45.7 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.194 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.65 -52.42 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.9 -42.08 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.535 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.89 -41.37 95.92 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.897 0.379 . . . . 0.0 110.935 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.52 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.077 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.514 ' HB3' HD13 ' A' ' 856' ' ' LEU . 4.8 t70 -62.67 -40.98 98.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.478 ' HB2' ' HB2' ' A' ' 856' ' ' LEU . . . -64.07 -22.74 67.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.582 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.52 -26.08 38.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -121.63 25.74 6.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.483 -173.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 179.3 3.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.267 0.556 . . . . 0.0 111.627 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 17.7 m -128.9 23.31 5.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.003 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.68 130.9 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.162 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -41.68 85.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.733 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.37 -39.49 93.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -58.36 -43.8 88.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.343 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 6.2 t -61.55 -42.42 98.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 854' ' ' ARG . 58.6 mtt180 -68.61 -46.33 69.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.14 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -56.45 -50.44 71.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.253 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 843' ' ' ASP . 56.2 mt -62.27 -49.8 74.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.376 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.62 -30.16 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.204 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 m -73.24 -46.11 52.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.37 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.39 97.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.257 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -65.55 -49.67 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.81 -44.78 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.35 -58.13 9.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.362 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.99 -25.64 58.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.199 0.523 . . . . 0.0 111.028 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -85.2 -43.57 13.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.682 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 866' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.31 -34.73 69.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 109.841 175.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 871' ' ' VAL . 8.3 m -66.16 -54.69 22.26 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.868 176.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.2 76.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -63.61 -41.39 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.472 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 6.0 ptm -80.44 -26.82 38.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.831 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 867' ' ' THR . 55.7 t -64.98 -50.07 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.63 -34.03 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.076 0.465 . . . . 0.0 110.708 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 873' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -66.96 -45.27 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.68 83.0 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 823' ' ' VAL . 9.0 mtpm? -57.55 -44.38 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.9 -42.2 79.31 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.716 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -71.12 -29.3 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.243 0.544 . . . . 0.0 111.062 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.447 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -76.45 -60.92 2.13 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.563 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -61.15 -33.69 73.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 -176.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.98 84.5 1.6 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.3 Cg_exo -69.11 -36.82 11.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.957 2.438 . . . . 0.0 112.386 -172.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -77.32 -28.91 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.628 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 36.4 m -65.89 103.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.286 -176.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.34 -25.07 62.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.325 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.88 -38.22 87.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.267 0.556 . . . . 0.0 109.626 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 16.0 mm100 -69.57 -37.92 77.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.2 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 883' ' ' SER . 61.9 mm-40 -64.93 -41.23 95.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.011 177.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.0 -51.59 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.998 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.229 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 812' ' ' ILE . 47.2 tp -59.68 -54.02 51.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.951 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 895' ' ' GLU . 49.7 mtm180 -58.04 -45.07 87.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.245 0.341 . . . . 0.0 111.195 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.73 -48.51 78.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.116 0.484 . . . . 0.0 111.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.7 -41.01 61.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -174.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.91 92.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.648 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 895' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 44.0 mt-10 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.807 0.337 . . . . 0.0 110.436 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.24 -33.75 74.01 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.56 -0.828 . . . . 0.0 111.905 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.404 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.4 tm? -66.44 -41.61 88.87 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -57.36 -44.84 84.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.662 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -52.47 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.312 175.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.14 77.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.005 0.431 . . . . 0.0 111.446 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.52 HG21 ' HB ' ' A' ' 805' ' ' ILE . 35.2 m -65.4 -49.97 67.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 36.1 t-20 -60.23 -41.64 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.52 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -57.81 -35.88 71.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.836 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -58.13 -45.24 87.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.069 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.44 -31.94 62.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.753 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -66.42 -30.47 70.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -55.58 124.82 18.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 911' ' ' LYS . 47.1 mm -68.06 126.2 27.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.734 ' HA ' ' H ' ' A' ' 795' ' ' ALA . 24.2 ttmm -110.8 95.82 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 911' ' ' LYS . . . . . 0.516 ' HG3' HG22 ' A' ' 909' ' ' ILE . 42.5 mtmt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.459 -0.782 . . . . 0.0 109.863 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 74.7 mt -99.57 116.8 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 783' ' ' ASP . . . . . 0.474 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 27.9 t70 -78.48 119.9 79.03 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.081 177.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 784' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 6.5 Cg_exo -73.99 174.44 12.37 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 123.214 2.609 . . . . 0.0 113.071 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 80.5 t80 76.48 -34.01 0.22 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.842 0.857 . . . . 0.0 112.664 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 13.6 t -73.18 -11.02 60.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.073 0.463 . . . . 0.0 111.069 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -77.33 117.48 18.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.299 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -92.3 166.56 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.292 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -99.89 149.07 23.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.568 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 23.5 m -92.18 -35.06 14.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.116 0.484 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 102.72 -89.07 0.7 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.762 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 62.22 27.11 16.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.185 0.517 . . . . 0.0 111.047 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -147.57 151.83 24.03 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.68 104.8 0.7 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.63 2.22 . . . . 0.0 112.455 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -109.8 8.18 24.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.726 0.774 . . . . 0.0 110.542 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -158.0 -63.23 0.01 OUTLIER Glycine 0 C--N 1.309 -0.937 0 CA-C-N 114.649 -1.159 . . . . 0.0 112.202 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -178.64 -69.82 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.616 0.246 . . . . 0.0 110.844 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.78 1.79 37.65 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 121.204 -0.198 . . . . 0.0 110.498 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.14 -27.68 67.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -166.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -72.52 -45.68 58.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.305 0.574 . . . . 0.0 109.882 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' ALA . . . . . 0.562 ' HB3' HD21 ' A' ' 836' ' ' LEU . . . -73.6 -38.89 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.245 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 32.4 p -63.98 -48.36 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.841 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.87 -35.22 66.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.972 0.415 . . . . 0.0 110.071 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 808' ' ' VAL . 47.9 m -59.67 -54.33 47.63 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.126 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.686 HD12 HD12 ' A' ' 836' ' ' LEU . 68.1 mt -58.5 -48.93 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.012 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.454 HD12 ' HG3' ' A' ' 898' ' ' ARG . 1.3 mm? -53.14 -47.63 68.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 38.8 m -68.19 -39.86 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.669 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 804' ' ' THR . 85.3 t -66.11 -40.03 86.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.101 177.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.422 HG21 ' HB2' ' A' ' 898' ' ' ARG . 97.0 m -55.54 -55.23 34.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.886 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.96 -25.74 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -71.43 -21.57 61.96 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.417 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.1 mp -60.7 -39.19 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.29 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -70.44 -27.73 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.4 t -78.17 -25.43 47.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 109.702 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.2 m -83.11 -3.32 57.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.078 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 12.3 mmt -51.44 105.94 0.12 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.07 -30.27 3.55 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.64 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.48 104.15 14.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.557 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.89 -50.82 67.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.494 -173.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.77 79.05 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.891 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.3 -45.88 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.988 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.598 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 87.3 mtp -59.18 -40.0 84.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.7 -36.04 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.687 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 828' ' ' ILE . 22.6 ttp180 -69.51 -47.7 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.347 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.306 0.379 . . . . 0.0 110.891 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.96 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 827' ' ' ARG . 50.7 mtm180 -72.16 -27.5 62.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.5 mt -69.5 -40.35 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.536 HD22 HG23 ' A' ' 805' ' ' ILE . 59.3 mt -59.49 -48.19 82.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.341 174.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.537 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -55.68 -42.29 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -63.36 -50.9 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.998 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.87 -45.18 87.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.344 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.664 HG23 ' HG ' ' A' ' 863' ' ' LEU . 19.6 m -56.46 -38.87 72.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.3 m -65.48 -33.42 75.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.77 -37.33 73.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 110.087 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.686 HD12 HD12 ' A' ' 805' ' ' ILE . 12.5 mt -70.95 -39.19 72.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.51 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 833' ' ' THR . 74.4 t -55.57 -42.68 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 110.362 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -67.83 -49.17 63.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.494 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.35 -51.73 68.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.884 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.14 -42.65 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.934 0.397 . . . . 0.0 110.709 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 40.7 ttmt -62.17 -44.42 96.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.725 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.262 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.43 -34.23 70.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 0.0 109.843 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.643 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 845' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 28.1 mm-40 -66.43 -26.07 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -85.06 -15.64 66.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.299 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 7.8 tp10 -79.83 131.18 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.422 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 21.0 t -86.92 -13.24 45.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.145 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.423 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 14.9 t70 -86.82 118.47 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -41.12 87.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.254 -175.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.58 -47.55 85.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.469 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.733 HD21 HG13 ' A' ' 909' ' ' ILE . 64.2 t30 -66.34 -40.42 89.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.987 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.432 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 13.4 p -68.31 -37.76 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.383 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -66.27 -35.73 81.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.39 -41.41 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.073 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.78 -47.57 77.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 853' ' ' SER . 82.8 mt -59.96 -46.12 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.554 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.419 ' O ' HG13 ' A' ' 862' ' ' ILE . 23.1 p -66.72 -41.37 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.99 89.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.79 0.329 . . . . 0.0 110.965 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.94 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.46 -42.11 75.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.606 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 858' ' ' SER . 75.0 mt -59.66 -46.51 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.032 175.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' A' ' 833' ' ' THR . 12.0 tp -56.06 -53.1 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.348 177.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.51 59.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.602 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -85.1 -42.41 14.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.349 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.92 64.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.135 0.493 . . . . 0.0 110.166 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 830' ' ' ALA . 24.8 m -72.49 -45.87 57.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.918 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 872' ' ' GLU . . . -57.22 -47.28 81.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.458 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.0 -46.01 89.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.208 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 12.6 tpt -57.82 -50.24 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.345 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.21 -49.28 85.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.558 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 868' ' ' ALA . 77.7 mt-10 -60.83 -34.93 75.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.44 . . . . 0.0 110.791 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 873' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -70.94 -46.95 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.58 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -56.77 -43.93 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -76.02 -39.81 31.74 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.83 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 111.183 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -83.96 -64.89 1.08 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.111 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.53 73.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -107.64 82.81 1.42 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.84 -25.25 53.12 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.65 2.233 . . . . 0.0 112.853 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.8 -25.76 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.685 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.527 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -67.01 99.15 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.763 -174.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.17 -37.41 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.717 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 36.3 mm-40 -63.46 -38.92 93.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.26 -35.09 79.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.559 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 71.2 mm-40 -60.91 -48.43 81.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 892' ' ' GLU . 55.5 tp60 -64.05 -42.3 97.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.3 mtt180 -56.32 -40.19 73.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.303 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.573 ' HA ' ' HB1' ' A' ' 873' ' ' ALA . 57.4 tp -68.87 -39.54 79.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.071 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.5 mtp180 -57.57 -56.27 24.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.737 0.304 . . . . 0.0 110.954 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 892' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 888' ' ' GLN . 7.7 pt-20 -67.59 -32.31 72.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.417 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.86 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.02 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.22 -38.37 90.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.322 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.23 -43.63 88.5 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.741 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -45.32 94.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 109.986 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.454 ' HG3' HD12 ' A' ' 806' ' ' LEU . 61.2 ttp180 -58.77 -49.25 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.365 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 49.2 ttm -60.62 -47.35 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.213 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.52 88.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.978 0.418 . . . . 0.0 110.888 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.546 HG21 ' HB ' ' A' ' 805' ' ' ILE . 26.5 m -67.39 -43.3 81.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.91 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 24.7 t-20 -60.89 -39.85 90.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.373 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.92 -45.14 83.0 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.698 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.4 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -60.85 -43.66 98.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 175.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -75.66 -25.07 56.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.36 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -79.65 -6.7 57.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.596 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -58.6 111.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 0.733 HG13 HD21 ' A' ' 852' ' ' ASN . 50.5 mm -82.56 133.36 29.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.655 -177.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' A' ' 910' ' ' LYS . 8.0 mtpm? -91.25 117.24 29.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.013 0.435 . . . . 0.0 110.328 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 911' ' ' LYS . . . . . 0.638 ' HA ' ' HE3' ' A' ' 911' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.411 176.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 37.7 pt -121.27 144.25 30.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.643 0.258 . . . . 0.0 110.442 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -95.67 155.53 38.43 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.373 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.92 7.79 3.44 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.866 2.377 . . . . 0.0 111.307 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 66.19 -174.3 0.19 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.019 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 37.1 m -83.62 95.07 8.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.139 0.495 . . . . 0.0 110.423 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -151.6 167.57 27.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.069 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -80.82 104.79 11.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.951 0.405 . . . . 0.0 110.033 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -86.99 133.87 33.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.778 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 8.2 m -78.43 82.6 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -171.84 33.63 0.14 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.938 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -104.44 144.08 32.15 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.657 0.265 . . . . 0.0 110.353 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -75.53 -171.99 31.12 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.614 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.24 -176.1 2.29 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.022 2.481 . . . . 0.0 111.666 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -78.06 78.1 4.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.353 0.597 . . . . 0.0 110.014 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -109.63 -142.05 9.42 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.69 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.524 ' HG3' ' HB1' ' A' ' 908' ' ' ALA . 16.8 tpp180 50.12 74.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.001 0.471 . . . . 0.0 109.8 -173.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 908' ' ' ALA . 88.3 m-85 73.41 -35.3 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.779 -1.1 . . . . 0.0 113.224 178.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.49 -31.87 72.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.009 0.368 . . . . 0.0 111.362 -172.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -68.97 -38.25 79.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.942 0.401 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.77 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.198 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.873 HG21 ' HB2' ' A' ' 905' ' ' ALA . 43.7 p -67.11 -36.26 81.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.315 -176.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -50.18 -43.97 52.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 111.204 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 808' ' ' VAL . 61.1 m -62.12 -51.3 68.47 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.639 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.871 HD12 HD12 ' A' ' 836' ' ' LEU . 69.2 mt -63.56 -49.06 84.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.919 -176.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 902' ' ' ASN . 1.1 mm? -52.46 -44.82 65.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.9 m -74.92 -46.66 34.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -176.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 70.8 t -60.44 -33.94 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.581 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 898' ' ' ARG . 55.3 m -53.82 -52.0 61.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.021 0.439 . . . . 0.0 111.205 176.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -64.51 -25.25 67.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 94.4 m-20 -64.62 -24.13 67.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.716 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.33 -36.67 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' PHE . . . . . 0.419 ' HZ ' ' HB3' ' A' ' 894' ' ' ALA . 98.8 m-85 -73.24 -33.54 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 35.8 t -71.71 -36.81 70.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.272 0.558 . . . . 0.0 110.2 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.4 m -83.58 -2.85 56.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.584 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.3 ttm -54.49 114.58 1.72 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.226 0.536 . . . . 0.0 111.239 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.89 -27.71 3.82 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.231 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -104.23 117.64 34.73 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.731 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.95 -58.61 6.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.771 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.4 62.99 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 113.457 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -66.8 -47.31 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.771 0.285 . . . . 0.0 111.038 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.0 mtp -59.29 -42.97 92.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.051 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 875' ' ' LYS . 88.0 t -65.63 -40.79 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 178.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.455 ' O ' HG13 ' A' ' 828' ' ' ILE . 8.9 tpt180 -60.81 -45.49 94.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.433 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.7 -40.64 97.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.06 83.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.147 0.499 . . . . 0.0 110.956 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 80.0 mtp180 -68.96 -35.49 76.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.484 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.8 mt -65.1 -38.24 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.906 175.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.43 HD22 HG23 ' A' ' 805' ' ' ILE . 37.9 mt -59.17 -47.55 84.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.78 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -61.13 -50.33 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.553 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.52 94.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.456 HG21 ' OG1' ' A' ' 867' ' ' THR . 89.0 m -62.6 -35.53 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.57 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 24.2 t -63.6 -48.9 75.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.053 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.58 -32.57 73.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -67.34 -51.13 56.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.59 176.136 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' A' ' 864' ' ' ALA . 71.1 t -56.54 -42.2 75.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.912 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.171 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.45 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.39 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 836' ' ' LEU . 83.8 mt -58.35 -51.98 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.94 -42.72 94.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.434 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.9 85.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.972 -177.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.69 -34.54 60.42 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.69 87.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.286 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.97 -23.88 62.3 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.829 0.347 . . . . 0.0 110.21 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -79.25 -24.76 60.62 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.59 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.11 135.61 52.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 63.1 m -85.62 -18.81 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.031 0.443 . . . . 0.0 110.624 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 851' ' ' GLU . 4.7 t70 -86.83 102.46 14.32 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -33.98 69.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -175.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.406 ' HB2' ' OD2' ' A' ' 849' ' ' ASP . 2.0 mp0 -58.58 -51.74 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.432 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.425 HD21 HG13 ' A' ' 909' ' ' ILE . 61.5 t30 -65.04 -37.59 88.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.137 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 56.9 m -57.2 -48.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 854' ' ' ARG . 62.4 mtt180 -62.03 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.074 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.3 -45.1 88.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.499 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.901 HD11 HD11 ' A' ' 909' ' ' ILE . 96.1 mt -64.07 -49.78 70.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.643 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.2 mt -56.13 -40.49 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 39.0 m -67.81 -39.64 83.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.37 -31.46 72.63 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.627 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.37 -43.94 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 861' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 11.2 tmtt? -64.55 -43.06 95.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.648 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.58 -48.69 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.08 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.536 ' HA ' ' HB1' ' A' ' 900' ' ' ALA . 7.2 tp -63.24 -57.89 8.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.7 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.644 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -57.1 -23.6 48.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.301 0.572 . . . . 0.0 111.078 -176.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 865' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.7 OUTLIER -80.36 -35.77 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.41 -177.239 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.92 67.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.456 ' OG1' HG21 ' A' ' 833' ' ' THR . 3.0 m -66.04 -44.19 85.34 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.192 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.19 80.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.71 0.291 . . . . 0.0 111.124 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -67.04 -43.99 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.449 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.62 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.5 tpt -57.56 -50.0 74.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.085 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 52.8 t -60.75 -48.66 87.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.249 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.32 -37.45 87.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 111.431 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.9 -48.43 68.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.466 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.37 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.652 ' HA ' HG22 ' A' ' 823' ' ' VAL . 53.3 mtpt -56.92 -48.86 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.289 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -73.28 -40.33 49.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.834 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.451 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.88 -25.86 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.06 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -78.16 -58.06 3.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.547 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.546 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.69 -36.91 72.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.063 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -106.71 82.75 1.09 Allowed Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.546 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.4 Cg_exo -63.96 -51.16 2.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.096 2.531 . . . . 0.0 113.56 -166.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.53 -8.06 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.094 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 47.6 m -70.99 104.58 3.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.449 . . . . 0.0 111.218 -177.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.5 -28.81 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.072 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 885' ' ' GLU . 14.0 mp0 -60.94 -40.09 91.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.263 0.554 . . . . 0.0 109.779 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.451 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 15.1 mm100 -73.13 -38.79 66.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.917 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.0 mm-40 -64.14 -37.37 87.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.842 0.353 . . . . 0.0 110.164 178.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.75 -49.02 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.92 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -64.93 -43.63 92.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.94 -41.54 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 891' ' ' ARG . 38.5 mtm180 -58.63 -38.2 77.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.54 0.21 . . . . 0.0 111.277 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.71 -47.84 36.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.854 0.359 . . . . 0.0 110.645 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -59.9 -44.31 94.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.82 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 894' ' ' ALA . . . . . 0.419 ' HB3' ' HZ ' ' A' ' 813' ' ' PHE . . . -68.08 -46.91 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.398 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -64.09 -33.44 75.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.678 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.65 -47.27 69.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.802 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.3 -44.48 97.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.243 0.544 . . . . 0.0 109.617 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.425 ' HB2' HG21 ' A' ' 809' ' ' THR . 77.4 ttt180 -53.88 -47.85 70.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.271 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.5 ttp -65.9 -48.94 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.997 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 900' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -58.95 -40.23 84.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.82 0.343 . . . . 0.0 111.247 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.556 HG21 ' HB ' ' A' ' 805' ' ' ILE . 79.8 m -65.34 -54.5 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 177.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.646 ' HB2' HD11 ' A' ' 806' ' ' LEU . 56.7 t30 -61.68 -35.12 77.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.704 -177.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.17 83.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.8 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.36 0.6 . . . . 0.0 109.472 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.873 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -68.4 -26.72 65.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.065 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 906' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 28.8 mm-40 -77.13 -25.1 51.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.107 0.479 . . . . 0.0 110.363 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -77.65 -5.25 49.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.524 ' HB1' ' HG3' ' A' ' 797' ' ' ARG . . . -51.69 128.75 24.36 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.353 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 0.901 HD11 HD11 ' A' ' 856' ' ' LEU . 2.5 mp -58.2 106.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.326 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -170.55 74.57 0.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.1 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.401 -178.288 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 32.0 pt -92.46 163.61 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 21.6 t70 61.12 93.2 0.06 OUTLIER Pre-proline 0 N--CA 1.467 0.397 0 O-C-N 123.848 0.717 . . . . 0.0 111.46 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -77.75 100.41 1.38 Allowed 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.812 2.341 . . . . 0.0 111.272 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -88.47 105.72 17.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.181 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 24.0 m 62.99 86.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.838 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -141.01 147.57 38.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -94.73 136.16 35.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.789 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 59.95 88.0 0.08 Allowed 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.878 0.736 . . . . 0.0 110.607 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.3 m -132.89 137.29 46.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.694 -175.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -118.49 47.22 1.05 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.663 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -87.88 69.16 9.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.442 0.639 . . . . 0.0 110.952 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -156.58 135.02 4.28 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.884 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.28 134.31 41.55 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.757 2.305 . . . . 0.0 111.885 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -122.36 136.92 54.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.907 0.384 . . . . 0.0 111.116 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' GLY . . . . . 0.431 ' H ' ' CG ' ' A' ' 799' ' ' ASP . . . -95.26 -88.12 1.74 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -163.68 10.4 0.05 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.426 ' HD2' ' HB2' ' A' ' 908' ' ' ALA . 32.4 m-85 -133.77 6.85 3.74 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.584 0.707 . . . . 0.0 109.103 176.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 799' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 796' ' ' GLY . 1.1 m-20 -68.22 -35.15 77.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.486 -166.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -68.9 -43.24 75.65 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.29 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.44 74.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.88 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.5 p -66.03 -38.9 89.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.752 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -56.89 -46.15 82.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 808' ' ' VAL . 31.8 m -60.3 -56.11 25.47 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.645 ' HB ' HG21 ' A' ' 901' ' ' THR . 84.3 mt -57.61 -49.27 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.203 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.37 -42.85 74.52 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 33.3 m -74.81 -39.84 61.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.584 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 804' ' ' THR . 80.5 t -67.92 -37.79 78.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.253 -0.28 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.945 HG21 ' HB2' ' A' ' 898' ' ' ARG . 87.3 m -52.96 -52.99 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.39 -24.67 67.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.124 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 93.7 m-20 -67.34 -28.62 68.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.043 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.478 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.6 mp -57.88 -38.29 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 110.432 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -72.81 -28.61 62.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 15.3 m -78.35 -36.81 45.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.154 0.502 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 55.0 m -82.32 -3.54 55.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.165 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.623 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -56.46 111.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.3 0.571 . . . . 0.0 110.347 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 134.47 -30.78 2.85 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.982 -174.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -108.18 116.33 31.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.812 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.26 -51.72 62.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.3 -173.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -50.72 -53.76 24.41 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.76 -0.654 . . . . 0.0 113.471 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 39.3 tt0 -69.57 -35.34 75.28 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.134 0.467 . . . . 0.0 111.657 -176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.2 mtp -60.48 -45.63 93.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.897 0.379 . . . . 0.0 110.573 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.609 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.5 t -65.71 -40.01 86.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.948 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.473 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.3 ttm180 -53.56 -50.38 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 81.4 mm-40 -61.54 -46.36 90.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.64 -39.76 77.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.823 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 43.1 mtm180 -62.43 -39.26 92.74 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.77 0.319 . . . . 0.0 110.317 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 824' ' ' ARG . 70.2 mt -61.75 -42.0 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.924 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.564 HD22 HG23 ' A' ' 805' ' ' ILE . 83.2 mt -61.48 -49.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.874 177.343 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.29 72.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.023 0.439 . . . . 0.0 110.666 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.48 -49.09 62.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.87 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.43 92.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.395 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.621 HG23 ' HG ' ' A' ' 863' ' ' LEU . 26.0 m -58.95 -39.91 83.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.32 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 74.4 m -61.18 -35.43 77.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.551 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.47 -48.02 79.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.428 HD12 HD12 ' A' ' 805' ' ' ILE . 16.6 mt -64.85 -44.23 90.45 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.877 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 833' ' ' THR . 71.0 t -53.34 -49.21 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.639 0.257 . . . . 0.0 111.008 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -67.34 -44.73 78.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.849 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.32 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.431 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.32 -46.43 94.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.348 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 56.8 mttm -58.75 -49.52 77.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 111.218 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 842' ' ' ALA . . . . . 0.539 ' HA ' ' OE1' ' A' ' 845' ' ' GLU . . . -69.11 -34.84 75.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.334 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.932 0.396 . . . . 0.0 110.434 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.08 -23.46 67.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.998 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 845' ' ' GLU . . . . . 0.539 ' OE1' ' HA ' ' A' ' 842' ' ' ALA . 44.3 mt-10 -72.22 -24.99 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.278 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -95.55 -26.7 11.52 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.3 126.31 27.15 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.0 m -84.16 -30.69 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 111.245 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.75 101.45 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.81 -39.06 73.45 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.359 0.412 . . . . 0.0 111.952 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.4 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.945 0.403 . . . . 0.0 110.12 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.452 ' HA ' ' HE2' ' A' ' 855' ' ' LYS . 58.0 t30 -70.78 -36.36 73.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.731 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 m -58.8 -50.06 75.37 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.117 0.484 . . . . 0.0 110.092 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.69 -45.76 92.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.677 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 852' ' ' ASN . 37.5 ttpt -57.34 -42.01 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.834 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.08 -53.01 62.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.705 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.22 -44.75 94.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.2 m -61.5 -41.79 97.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.54 79.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.15 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 861' ' ' LYS . . . . . 0.472 ' O ' ' HD2' ' A' ' 861' ' ' LYS . 0.3 OUTLIER -66.25 -45.17 81.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.771 178.822 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.8 -47.24 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.331 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.621 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -58.21 -56.49 21.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.356 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.81 -30.68 61.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.435 -176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.14 -39.65 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.701 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.82 71.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.253 0.549 . . . . 0.0 109.631 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.444 ' OG1' HG21 ' A' ' 833' ' ' THR . 24.0 m -67.32 -49.55 63.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.841 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.16 -50.18 71.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.4 -45.26 94.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.666 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 13.2 ttt -64.86 -49.46 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.635 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 50.2 t -54.88 -48.09 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.215 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.444 ' HA ' ' HE3' ' A' ' 875' ' ' LYS . 33.3 mt-10 -64.85 -40.67 95.54 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.745 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.06 88.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.709 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.56 89.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.698 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 823' ' ' VAL . 10.1 mtmp? -59.27 -43.78 92.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.943 0.401 . . . . 0.0 110.628 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.42 -42.65 64.18 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.443 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -66.36 -31.69 72.62 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.153 0.501 . . . . 0.0 110.988 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -70.96 -58.99 3.04 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.602 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.541 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -68.35 -28.53 67.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.605 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -104.86 87.22 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 25.4 Cg_exo -61.58 -54.35 1.72 Allowed 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.104 2.536 . . . . 0.0 113.207 -166.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.01 -17.42 59.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.966 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.6 t -57.86 102.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 111.696 -171.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.115 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.93 -50.16 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.156 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.575 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 84.5 mm-40 -58.22 -44.19 88.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.782 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 72.3 mm-40 -62.82 -47.57 82.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.384 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.176 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -59.94 -45.09 93.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.425 177.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.478 HD21 ' CG2' ' A' ' 812' ' ' ILE . 59.8 tp -65.72 -40.79 92.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.475 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 71.3 mtt180 -53.13 -49.05 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.571 -178.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.22 -32.19 38.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.723 0.297 . . . . 0.0 111.098 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.06 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 894' ' ' ALA . . . . . 0.666 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -63.84 -40.2 96.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.094 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.8 -36.2 79.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -65.8 -42.05 95.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.282 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.89 -49.66 71.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 110.491 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.945 ' HB2' HG21 ' A' ' 809' ' ' THR . 12.8 ttp180 -61.03 -41.49 96.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 51.7 ttm -67.33 -42.7 83.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.645 HG21 ' HB ' ' A' ' 805' ' ' ILE . 37.0 m -67.08 -41.45 86.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.15 -33.09 72.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.972 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 903' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 906' ' ' GLN . . . -65.78 -44.28 86.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.658 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.36 73.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.115 0.483 . . . . 0.0 110.293 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.32 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.233 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 906' ' ' GLN . . . . . 0.644 ' HA ' ' HG3' ' A' ' 910' ' ' LYS . 13.9 pt20 -74.26 -21.86 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.271 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -77.43 -6.19 52.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.398 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 798' ' ' TYR . . . -78.86 42.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.58 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 69.4 mt 52.62 81.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.76 0.791 . . . . 0.0 110.847 -174.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.644 ' HG3' ' HA ' ' A' ' 906' ' ' GLN . 74.1 mmtt -122.2 87.99 2.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.369 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.881 -178.23 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 6.4 tp -130.59 129.09 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.203 0.525 . . . . 0.0 110.314 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 32.4 t70 -88.2 130.04 47.55 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.481 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 784' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 26.6 Cg_exo -62.89 126.06 17.29 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.932 2.422 . . . . 0.0 112.05 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -67.28 -26.38 66.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.06 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.6 p -79.72 -51.53 9.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.005 0.431 . . . . 0.0 110.335 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 72.71 153.29 0.13 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.564 -1.198 . . . . 0.0 112.38 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -98.71 9.11 44.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.584 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -87.91 141.63 28.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.784 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.0 t -134.74 85.65 2.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.04 0.924 . . . . 0.0 111.065 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -143.39 54.22 0.59 Allowed Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.893 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -107.6 -0.09 22.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.308 . . . . 0.0 111.04 -174.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -76.06 152.87 42.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.884 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -61.27 135.31 57.23 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.601 2.2 . . . . 0.0 112.028 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -144.77 154.6 42.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.149 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -76.57 -109.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.338 174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.522 ' NH2' ' HB ' ' A' ' 909' ' ' ILE . 64.3 mtt180 -124.38 -62.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.153 0.502 . . . . 0.0 110.079 173.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 4.3 m-85 -122.35 13.37 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.071 -177.301 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.37 -39.31 89.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.136 -166.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -64.27 -50.19 68.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.79 0.328 . . . . 0.0 111.041 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -74.24 -36.53 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.662 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 17.7 p -64.1 -42.62 96.83 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.592 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.58 -43.28 71.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.159 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 808' ' ' VAL . 31.2 m -57.1 -53.0 63.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.725 HG23 HD22 ' A' ' 829' ' ' LEU . 68.9 mt -62.71 -49.98 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.581 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -53.86 -42.48 68.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.588 0.233 . . . . 0.0 111.41 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 50.3 m -71.25 -50.52 31.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.303 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 804' ' ' THR . 90.2 t -60.61 -36.0 67.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.34 -176.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 99.8 m -54.76 -45.26 74.19 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.473 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 5.0 mm-40 -63.13 -25.72 68.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.954 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.578 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.458 HG13 ' CB ' ' A' ' 825' ' ' GLN . 3.7 mp -67.21 -44.66 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.564 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.44 -31.07 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 23.2 t -72.63 -39.68 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.172 0.51 . . . . 0.0 110.088 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -83.16 -5.98 59.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.622 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 48.1 ttm -54.01 121.38 7.93 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 128.69 -22.28 5.22 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -174.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.79 116.11 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.585 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.42 -50.72 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.955 -173.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.6 94.02 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.255 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.408 ' OE1' ' HD2' ' A' ' 824' ' ' ARG . 7.6 tp10 -67.54 -44.25 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 111.588 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 85.1 mtp -60.57 -39.93 89.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.674 -175.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 875' ' ' LYS . 69.2 t -66.67 -37.3 79.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.44 178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.408 ' HD2' ' OE1' ' A' ' 821' ' ' GLU . 41.2 ttm180 -61.25 -46.31 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.692 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.458 ' CB ' HG13 ' A' ' 812' ' ' ILE . 86.4 mm-40 -59.18 -40.06 84.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.182 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -64.7 -37.82 88.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.028 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -61.98 -36.8 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.92 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.11 -43.65 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.465 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.725 HD22 HG23 ' A' ' 805' ' ' ILE . 47.6 mt -61.36 -45.87 92.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.737 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -56.67 -40.08 74.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -66.42 -49.22 67.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.563 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.01 91.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.894 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.678 HG23 ' HG ' ' A' ' 863' ' ' LEU . 46.4 m -58.56 -36.44 73.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.242 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.0 m -59.71 -35.98 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.134 -175.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.83 -39.07 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 798' ' ' TYR . 13.3 mt -65.66 -41.6 92.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 833' ' ' THR . 93.8 t -53.38 -40.89 42.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -74.21 -43.53 56.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.923 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.87 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.558 ' HA ' ' CE1' ' A' ' 798' ' ' TYR . 75.8 mt -59.57 -44.87 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 64.1 mttm -58.93 -46.53 87.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.993 0.425 . . . . 0.0 110.823 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.553 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.421 ' OD2' ' HD3' ' A' ' 797' ' ' ARG . 36.9 t70 -74.4 -30.29 61.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.789 0.328 . . . . 0.0 110.362 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.32 80.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 175.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 845' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.6 mt-10 -75.16 -15.94 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -90.57 -7.19 67.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.575 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -83.91 140.89 31.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.318 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 23.3 t -90.72 -19.67 23.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.246 0.546 . . . . 0.0 110.185 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 108.08 20.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.85 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 853' ' ' SER . 4.7 mp -63.0 -29.5 70.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -178.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.22 -39.61 79.51 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.445 0.64 . . . . 0.0 109.528 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.906 HD21 HD11 ' A' ' 909' ' ' ILE . 66.9 t30 -80.29 -42.42 23.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.725 176.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 850' ' ' LEU . 47.3 m -55.6 -49.5 72.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.192 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -68.59 -29.13 67.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.695 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.98 -36.96 75.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.936 177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' A' ' 907' ' ' ASN . 92.8 mt -68.33 -47.82 66.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.345 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.06 -49.31 76.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.271 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 862' ' ' ILE . 18.8 p -63.11 -39.33 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.15 93.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.99 98.69 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -67.74 -39.03 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.676 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 858' ' ' SER . 84.5 mt -63.65 -47.01 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.994 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.678 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.1 tp -56.35 -57.42 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.801 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -53.51 -35.29 60.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -83.8 -38.5 21.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.743 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.51 67.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.415 ' OG1' HG21 ' A' ' 833' ' ' THR . 24.4 m -72.06 -49.82 33.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.69 82.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.409 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -53.97 -50.31 66.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.641 173.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.742 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 0.3 OUTLIER -60.31 -54.5 44.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.105 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.485 HG12 ' HE3' ' A' ' 875' ' ' LYS . 74.2 t -57.3 -41.9 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.945 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.49 -36.86 79.52 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.97 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.415 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.15 95.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.567 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.498 ' HA ' HG22 ' A' ' 823' ' ' VAL . 94.0 mttt -57.48 -50.79 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.66 -45.3 93.27 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.515 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.179 0.514 . . . . 0.0 111.151 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.585 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -76.84 -65.3 0.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.909 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.95 -31.03 72.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.765 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -106.44 83.69 1.25 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.9 -40.29 21.75 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.6 2.2 . . . . 0.0 112.655 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -76.6 -9.74 58.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.359 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 35.6 t -79.66 98.26 6.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.406 . . . . 0.0 110.751 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.01 -25.95 66.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.352 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 45.5 mt-10 -60.38 -50.04 75.19 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -64.24 -33.59 76.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.968 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 883' ' ' SER . 72.5 mm-40 -62.34 -48.78 78.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.096 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 53.7 tp60 -63.73 -42.17 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.611 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.1 mtt180 -59.06 -39.81 83.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.431 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 47.2 tp -65.28 -39.78 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.466 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 96.9 mtt180 -58.42 -51.18 70.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 892' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 36.2 mt-10 -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.429 0.633 . . . . 0.0 110.532 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.742 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.26 -45.47 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.932 -175.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.48 76.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.123 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.65 -36.3 75.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.264 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.68 93.5 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.462 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.64 -47.65 82.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.35 -47.16 86.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.079 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.0 ttp -58.36 -50.11 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.777 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.49 90.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.382 . . . . 0.0 111.265 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.68 HG21 ' HB ' ' A' ' 805' ' ' ILE . 44.0 m -66.0 -46.57 77.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.44 ' HB2' HD11 ' A' ' 806' ' ' LEU . 57.0 t30 -66.95 -30.83 71.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.054 0.454 . . . . 0.0 109.947 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 903' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 906' ' ' GLN . . . -66.26 -44.14 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.981 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.33 73.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.084 0.468 . . . . 0.0 110.279 174.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.1 84.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.173 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 906' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 903' ' ' ALA . 12.7 pt20 -78.16 -23.26 47.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.642 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 907' ' ' ASN . . . . . 0.417 ' HB3' ' CD2' ' A' ' 856' ' ' LEU . 3.6 m-80 -69.23 -16.08 63.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.898 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -71.4 108.89 5.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.187 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 0.906 HD11 HD21 ' A' ' 852' ' ' ASN . 2.9 mp -61.32 131.71 26.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.755 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 910' ' ' LYS . 39.0 ttmt -147.58 100.56 3.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.611 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 55.8 pttt . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.616 -177.391 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 29.4 pt -102.49 37.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.116 0.484 . . . . 0.0 109.877 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.62 113.82 4.47 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.485 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -94.02 70.73 0.35 Allowed 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 123.305 2.67 . . . . 0.0 111.143 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.11 102.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.606 -172.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.3 m 60.5 40.19 17.31 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.852 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -62.87 118.91 8.41 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.118 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -120.78 127.17 51.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.924 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 53.27 71.83 0.47 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.555 0.535 . . . . 0.0 110.874 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.737 HG21 ' HA ' ' A' ' 795' ' ' ALA . 7.6 t -106.59 2.08 25.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.633 -175.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 134.92 -26.73 3.25 Favored Glycine 0 CA--C 1.511 -0.2 0 C-N-CA 120.512 -0.852 . . . . 0.0 111.765 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -138.72 30.1 2.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.292 0.567 . . . . 0.0 109.602 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 84.49 -118.44 4.72 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 -170.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.631 ' HB3' ' HG3' ' A' ' 800' ' ' GLN . 25.6 Cg_exo -63.74 164.28 21.92 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.496 2.131 . . . . 0.0 111.081 172.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.737 ' HA ' HG21 ' A' ' 790' ' ' THR . . . -64.33 127.95 33.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 796' ' ' GLY . . . . . 0.521 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . 59.46 -133.46 51.91 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.572 174.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.541 ' HB2' HG13 ' A' ' 909' ' ' ILE . 30.9 ttm180 -118.3 -50.92 2.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.978 0.418 . . . . 0.0 110.094 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 836' ' ' LEU . 16.5 m-85 -118.03 7.22 12.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 799' ' ' ASP . . . . . 0.521 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 2.6 m-20 -67.71 -29.04 68.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.966 -166.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 800' ' ' GLN . . . . . 0.631 ' HG3' ' HB3' ' A' ' 794' ' ' PRO . 15.1 mm100 -71.77 -48.67 45.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.02 89.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.038 -177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 21.3 p -67.67 -43.27 80.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.367 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.15 -43.46 61.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.768 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 808' ' ' VAL . 29.7 m -55.31 -54.11 47.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.35 175.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.612 ' HB ' HG21 ' A' ' 901' ' ' THR . 91.1 mt -61.69 -50.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.46 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.3 mm? -55.7 -38.63 69.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.645 0.259 . . . . 0.0 111.35 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 807' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 32.7 m -76.28 -46.39 28.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.483 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.654 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 89.1 t -64.52 -27.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.549 0.214 . . . . 0.0 110.999 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 898' ' ' ARG . 54.8 m -52.88 -51.28 61.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 807' ' ' THR . 12.7 pt-20 -67.77 -24.4 65.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.608 0.242 . . . . 0.0 110.815 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.654 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.2 m-20 -58.41 -33.64 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.625 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.524 HG21 HD11 ' A' ' 890' ' ' LEU . 3.4 mp -60.82 -37.26 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -75.06 -30.14 60.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.412 . . . . 0.0 110.329 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.4 t -72.33 -45.44 59.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.4 m -81.61 -2.87 51.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.373 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.603 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 47.3 ttm -50.28 115.68 1.54 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.259 0.552 . . . . 0.0 110.633 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.09 -41.3 1.52 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.7 112.02 23.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.766 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.14 -51.25 64.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.651 -173.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.71 90.87 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.87 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -67.36 -39.29 85.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.751 0.275 . . . . 0.0 111.031 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.6 mtp -61.57 -47.85 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.622 177.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.597 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 75.9 t -65.68 -35.34 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.45 ' O ' HG13 ' A' ' 828' ' ' ILE . 18.5 tpt180 -55.83 -48.7 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 177.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.67 -41.69 98.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.15 81.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.226 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 85.8 mtt-85 -62.84 -42.19 99.64 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.694 0.283 . . . . 0.0 110.351 177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.8 mt -59.91 -44.73 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.578 HD22 HG23 ' A' ' 805' ' ' ILE . 57.2 mt -60.05 -47.26 86.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.95 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.25 -51.89 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -58.91 -48.21 82.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.786 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.62 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.026 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.502 HG21 ' OG1' ' A' ' 867' ' ' THR . 98.4 m -62.91 -40.36 97.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.639 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.2 m -59.34 -45.53 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 110.391 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.64 -36.42 78.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.482 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 798' ' ' TYR . 27.8 tp -68.39 -42.77 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 833' ' ' THR . 56.2 t -55.89 -49.1 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.321 . . . . 0.0 110.612 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.04 -46.12 90.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.281 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.68 72.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.49 -48.79 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.179 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 45.8 mtpt -68.86 -39.15 80.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.757 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.61 79.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 0.0 110.493 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.508 ' OD2' ' HD3' ' A' ' 797' ' ' ARG . 33.0 t70 -69.62 -32.14 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.155 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.94 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.982 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 845' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 53.0 mt-10 -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.56 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.0 -20.21 53.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.785 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.87 122.72 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.702 0.401 . . . . 0.0 110.594 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 57.0 p -79.91 -14.02 58.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.696 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.502 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 7.8 t70 -86.83 95.38 9.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.637 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -57.44 -38.71 74.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.355 0.409 . . . . 0.0 110.906 -173.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.04 -39.8 87.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.021 0.439 . . . . 0.0 110.774 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.502 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.2 t30 -72.71 -32.98 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.0 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 50.6 m -60.13 -40.57 90.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.502 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 85.9 mtt-85 -60.64 -40.33 91.59 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.189 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -64.73 -41.74 95.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.609 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 94.2 mt -65.35 -48.97 71.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.47 -46.13 87.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.412 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 14.1 p -69.43 -36.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.37 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.784 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.24 86.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.671 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -63.49 -52.81 59.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.366 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.21 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.93 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 833' ' ' THR . 10.0 tp -61.87 -57.19 12.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.59 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -54.39 -30.02 50.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 0.0 111.705 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.97 -35.51 25.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.51 -33.0 74.62 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.502 ' OG1' HG21 ' A' ' 833' ' ' THR . 5.7 m -69.73 -43.54 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.96 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 110.522 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 869' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 869' ' ' LYS . 8.2 mmmm -64.15 -53.66 45.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.276 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.402 ' HB2' ' HB2' ' A' ' 897' ' ' LEU . 11.3 tpt -55.5 -53.6 54.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.332 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 830' ' ' ALA . 40.0 t -59.15 -50.1 81.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.899 -175.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.47 -31.51 69.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.722 0.296 . . . . 0.0 111.369 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.51 75.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.7 -47.57 85.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.966 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.559 ' HA ' HG22 ' A' ' 823' ' ' VAL . 29.4 mtpp -55.67 -48.97 74.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.781 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.01 92.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.97 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -71.0 -27.93 64.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.223 0.535 . . . . 0.0 111.229 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.766 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -80.14 -60.69 2.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.881 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.534 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.8 -35.0 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.073 -175.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -106.59 84.21 1.42 Allowed Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 24.4 Cg_exo -62.46 -38.26 53.78 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.964 2.442 . . . . 0.0 112.752 -168.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.32 -14.33 59.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.797 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.599 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -68.4 105.04 2.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.078 0.466 . . . . 0.0 111.477 -172.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -67.01 -32.1 73.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.998 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.47 -41.65 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.187 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 883' ' ' SER . 14.4 mm100 -67.53 -38.05 83.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 883' ' ' SER . 80.6 mm-40 -59.51 -45.58 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -57.42 -50.24 73.65 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.753 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -54.4 -46.38 73.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.399 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.524 HD11 HG21 ' A' ' 812' ' ' ILE . 58.7 tp -62.48 -48.45 79.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.373 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -58.54 -41.24 85.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 111.07 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.82 -47.36 53.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.95 88.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.112 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.69 84.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.639 0.257 . . . . 0.0 111.144 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.72 -36.64 67.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.3 -44.85 96.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.468 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 870' ' ' MET . 3.0 tm? -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.449 ' HB2' HG21 ' A' ' 809' ' ' THR . 46.8 ttp180 -55.97 -50.11 71.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.222 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 50.0 ttp -59.52 -50.12 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.48 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 900' ' ' ALA . . . . . 0.425 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -59.6 -45.54 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.98 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.612 HG21 ' HB ' ' A' ' 805' ' ' ILE . 24.4 m -66.5 -45.0 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.93 -39.26 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.672 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -64.56 -44.27 91.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.53 78.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.293 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.088 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -72.94 -25.72 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.927 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -86.17 -6.98 58.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.606 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.524 ' O ' ' HB ' ' A' ' 909' ' ' ILE . . . -74.37 109.26 7.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.407 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 0.541 HG13 ' HB2' ' A' ' 797' ' ' ARG . 14.0 mt 72.95 147.68 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 123.604 0.565 . . . . 0.0 111.111 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -77.16 73.52 3.74 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 111.445 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 52.3 mttp . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.401 175.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.396 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 45.0 mm -104.19 114.8 44.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -80.53 132.38 58.67 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.39 116.22 3.18 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.636 2.224 . . . . 0.0 112.098 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -94.09 83.18 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.52 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 26.0 m 56.89 94.9 0.02 OUTLIER 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.043 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -77.66 106.09 9.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -98.14 -69.01 0.78 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.93 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -154.25 86.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.149 0.499 . . . . 0.0 111.009 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 2.0 p -134.53 117.86 16.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.316 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 111.21 10.45 20.24 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -136.67 171.49 14.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.414 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -79.86 155.08 38.44 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.984 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.13 117.3 4.96 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.728 2.286 . . . . 0.0 111.393 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -83.01 138.03 33.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 796' ' ' GLY . . . . . 0.416 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . -81.27 -112.33 0.34 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.759 177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.44 ' HD3' ' OD2' ' A' ' 843' ' ' ASP . 41.2 ttm180 -140.57 -58.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.677 0.275 . . . . 0.0 110.918 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.434 ' HB3' HD21 ' A' ' 836' ' ' LEU . 17.1 m-85 -100.57 14.36 31.6 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 799' ' ' ASP . . . . . 0.416 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 0.9 OUTLIER -67.16 -33.66 75.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.109 -164.814 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.96 -46.79 56.13 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.555 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.58 83.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.415 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 34.2 p -64.34 -45.24 88.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.685 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.33 -42.04 69.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.61 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 808' ' ' VAL . 92.6 m -58.87 -54.57 45.58 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.283 176.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.672 ' HB ' HG21 ' A' ' 901' ' ' THR . 65.1 mt -60.77 -50.68 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.504 -177.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.0 OUTLIER -51.08 -52.43 43.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.723 0.297 . . . . 0.0 110.925 178.52 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 47.1 m -65.33 -47.61 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.661 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 804' ' ' THR . 92.8 t -62.82 -34.79 67.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.839 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.6 HG21 ' HB2' ' A' ' 898' ' ' ARG . 90.0 m -55.6 -48.79 74.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -58.31 -31.47 67.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.112 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.16 -21.78 63.04 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.927 -174.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 808' ' ' VAL . 2.8 mp -63.23 -41.53 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.801 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -71.88 -27.82 63.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.9 m -75.11 -32.39 61.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.237 0.541 . . . . 0.0 110.337 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 35.4 m -82.81 -3.75 57.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.562 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.1 mmt -46.52 121.74 3.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.619 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.32 -28.92 7.96 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.416 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 818' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.7 t70 -105.91 113.15 26.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.643 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -51.02 65.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.684 -173.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.07 97.5 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.43 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.556 ' OE2' ' HD3' ' A' ' 824' ' ' ARG . 9.5 tp10 -63.99 -45.95 86.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.762 0.315 . . . . 0.0 111.17 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.547 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 90.1 mtp -63.86 -45.24 90.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.438 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 875' ' ' LYS . 89.2 t -65.71 -35.8 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.25 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.556 ' HD3' ' OE2' ' A' ' 821' ' ' GLU . 47.3 ttt180 -55.99 -51.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.499 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 79.6 mm-40 -59.88 -41.82 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.96 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.98 86.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 70.9 mtp180 -68.93 -32.99 73.0 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.796 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.9 mt -66.34 -44.36 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.756 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.591 HD22 HG23 ' A' ' 805' ' ' ILE . 67.2 mt -58.27 -47.35 83.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.562 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.07 -43.7 70.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.088 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -65.98 -48.37 71.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.05 96.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.192 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.533 HG23 ' HG ' ' A' ' 863' ' ' LEU . 49.5 m -60.96 -37.73 83.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.1 m -60.94 -33.74 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.559 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.83 -52.55 49.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.043 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 805' ' ' ILE . 26.0 mt -60.59 -47.91 84.09 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.927 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 833' ' ' THR . 86.7 t -53.82 -42.37 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 -178.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.27 -44.75 35.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.66 0.267 . . . . 0.0 111.254 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.2 68.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.506 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.74 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.062 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.87 -41.41 97.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.278 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.67 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 0.0 110.614 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.44 ' OD2' ' HD3' ' A' ' 797' ' ' ARG . 33.4 t70 -72.19 -34.71 68.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.669 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.22 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.12 -20.29 57.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.664 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -99.31 0.16 57.06 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.245 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.4 tp10 -86.33 144.27 27.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.2 m -89.4 -1.91 58.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.908 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.462 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 17.9 t70 -121.15 113.19 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -29.89 66.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.825 -173.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.85 -46.32 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.47 0.652 . . . . 0.0 109.31 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -63.72 -40.67 97.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.514 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 58.6 m -58.86 -40.27 83.81 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.946 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.53 -42.19 98.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.607 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.0 -44.3 97.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.46 -53.63 55.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.861 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.14 -42.96 81.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.0 m -63.94 -39.92 95.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.87 95.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.9 99.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.59 -52.13 66.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.001 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.19 -43.81 94.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.884 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.533 ' HG ' HG23 ' A' ' 833' ' ' THR . 13.3 tp -60.14 -53.17 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.753 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.99 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.28 -39.11 18.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.439 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 866' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.89 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.405 ' OG1' HG21 ' A' ' 833' ' ' THR . 10.2 m -74.07 -43.51 57.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.859 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.32 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.45 -47.05 68.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.696 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 12.9 tpt -55.57 -53.39 56.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.745 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 44.9 t -59.54 -46.11 93.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.895 -175.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.5 -38.94 81.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.698 0.285 . . . . 0.0 111.416 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.04 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.519 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.86 97.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.796 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.637 ' HA ' HG22 ' A' ' 823' ' ' VAL . 98.2 mttt -58.85 -49.38 77.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.762 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.86 91.97 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.892 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.74 -25.37 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -82.76 -64.94 1.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -59.53 -36.86 76.94 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -175.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 880' ' ' HIS . . . . . 0.41 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 73.6 m80 -106.79 84.25 1.48 Allowed Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 170.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.6 Cg_exo -59.64 -53.19 3.55 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.047 2.498 . . . . 0.0 113.31 -167.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.44 -2.42 31.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -173.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.41 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 67.4 m -71.58 95.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 111.015 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -63.26 -28.12 69.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.162 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 41.9 mt-10 -64.28 -49.59 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.477 178.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -66.83 -32.84 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.363 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.68 -51.24 70.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -65.01 -40.1 94.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.714 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 82.7 mtp180 -63.51 -35.85 81.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.489 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.13 -39.7 90.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.67 -47.75 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.739 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -33.9 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.696 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.01 -47.11 66.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.107 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.39 -35.72 81.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.25 -50.34 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.86 96.89 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.424 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -61.04 -50.3 73.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.344 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.6 ' HB2' HG21 ' A' ' 809' ' ' THR . 52.8 ttp180 -63.74 -40.13 95.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.484 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 52.9 ttp -60.52 -54.66 42.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.66 95.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.256 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.672 HG21 ' HB ' ' A' ' 805' ' ' ILE . 87.9 m -63.72 -49.47 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.246 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 60.6 t30 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.419 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.44 81.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.425 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.78 73.99 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.98 0.419 . . . . 0.0 110.578 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.643 175.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -75.29 -23.8 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.68 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -78.64 -6.56 56.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.208 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -70.67 89.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 49.7 mm -73.45 102.18 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.064 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -91.96 115.41 28.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.449 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.568 175.877 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 7.0 tp -113.3 127.31 70.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.0 0.429 . . . . 0.0 110.226 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' ASP . . . . . 0.706 ' HB2' ' HD1' ' A' ' 785' ' ' PHE . 3.9 p-10 -87.72 137.12 32.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.902 0.382 . . . . 0.0 110.45 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -87.81 19.45 1.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.836 2.357 . . . . 0.0 112.271 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 785' ' ' PHE . . . . . 0.706 ' HD1' ' HB2' ' A' ' 783' ' ' ASP . 87.3 m-85 -86.74 -49.99 7.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 6.4 t -145.47 83.98 1.68 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 122.023 0.916 . . . . 0.0 110.521 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -101.75 16.74 24.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.527 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -141.55 128.9 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.362 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -144.58 154.67 43.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.672 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 8.9 t -100.75 -6.55 24.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.713 0.292 . . . . 0.0 110.9 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -65.4 -66.38 2.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.992 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -132.16 88.25 2.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.8 0.333 . . . . 0.0 110.232 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.433 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . -173.21 -125.61 0.85 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.334 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.433 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 3.0 Cg_exo -75.11 129.46 12.27 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.268 2.645 . . . . 0.0 112.542 -177.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -87.17 154.37 20.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.345 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 61.39 -130.87 47.08 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.862 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -141.59 -25.46 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.749 0.274 . . . . 0.0 111.394 174.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.421 ' HB3' HD21 ' A' ' 836' ' ' LEU . 18.4 m-85 -119.86 2.02 11.03 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 122.438 -0.164 . . . . 0.0 110.863 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 799' ' ' ASP . . . . . 0.421 ' HA ' ' OG1' ' A' ' 802' ' ' THR . 37.6 t70 -67.11 -28.12 67.9 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -165.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -72.14 -38.29 69.26 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.79 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -78.78 -40.25 33.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 799' ' ' ASP . 32.8 p -64.94 -39.76 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.695 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -48.22 -47.88 35.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.277 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 808' ' ' VAL . 48.6 m -60.85 -51.73 68.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.666 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 836' ' ' LEU . 58.9 mt -58.56 -54.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.374 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 806' ' ' LEU . 2.1 mm? -54.76 -46.06 74.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.403 0.144 . . . . 0.0 111.287 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -65.95 -44.93 83.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.284 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 86.2 t -69.27 -36.01 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.066 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 898' ' ' ARG . 98.9 m -54.87 -53.38 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.412 . . . . 0.0 111.832 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.32 -24.9 67.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 86.3 m-20 -62.53 -27.68 69.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.685 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.455 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.0 mp -56.96 -43.28 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.422 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 813' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 894' ' ' ALA . 96.3 m-85 -70.82 -33.75 71.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.78 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 21.4 t -75.29 -27.73 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -82.79 -2.93 55.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.311 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 9.6 mmt -45.64 108.37 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.502 0.501 . . . . 0.0 111.431 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 139.6 -45.09 1.03 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -103.71 115.67 30.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 0.0 110.283 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.613 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.02 -46.82 82.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.393 -176.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.92 -45.67 79.79 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.386 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.4 tp10 -67.34 -43.48 81.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.884 0.342 . . . . 0.0 110.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.54 -47.9 83.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.764 0.316 . . . . 0.0 110.916 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.7 -37.14 79.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.368 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -60.46 -43.6 96.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 32.1 mm-40 -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.467 ' HB1' HG13 ' A' ' 871' ' ' VAL . . . -61.31 -36.48 80.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.1 -46.78 87.43 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.076 0.465 . . . . 0.0 110.286 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.42 -43.26 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.386 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.1 -43.49 98.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.031 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.22 -45.19 84.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.33 -49.46 71.64 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.94 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.593 HG23 ' HG ' ' A' ' 863' ' ' LEU . 42.9 m -60.24 -41.6 93.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.4 m -61.23 -43.14 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -41.49 90.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.625 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -62.34 -46.68 87.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.57 HG13 ' HB1' ' A' ' 860' ' ' ALA . 73.4 t -55.48 -43.93 74.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.756 0.312 . . . . 0.0 110.689 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.79 -45.92 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.07 98.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 836' ' ' LEU . 75.7 mt -63.8 -46.9 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 98.2 mttt -58.76 -43.11 90.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.703 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.27 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.038 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -70.41 -32.57 70.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.66 78.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.747 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 845' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 49.9 mm-40 -70.17 -34.04 72.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.139 0.495 . . . . 0.0 110.271 176.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -92.69 10.03 74.7 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.7 tp10 -88.92 142.92 27.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 10.0 m -78.82 -29.14 44.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 852' ' ' ASN . 27.2 m-20 -91.05 107.12 18.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.152 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.97 -42.19 98.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.618 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.95 -34.82 75.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.485 ' HB3' ' HB2' ' A' ' 849' ' ' ASP . 63.8 t30 -77.43 -32.68 54.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.266 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.486 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 40.5 m -56.72 -41.65 77.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.223 0.535 . . . . 0.0 109.904 174.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 854' ' ' ARG . 22.5 mtp180 -68.6 -33.33 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.268 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.14 -43.62 86.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.032 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.36 -46.89 88.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.299 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 853' ' ' SER . 97.8 mt -58.9 -39.2 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 177.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.0 t -64.67 -48.15 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.135 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.31 90.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.57 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -60.42 -40.9 92.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.764 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.24 -52.42 54.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -41.95 68.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.593 ' HG ' HG23 ' A' ' 833' ' ' THR . 6.8 tp -59.97 -56.82 16.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.853 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.84 -29.23 62.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 865' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 869' ' ' LYS . 46.7 m-20 -82.58 -45.33 14.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.802 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 866' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.7 -30.74 65.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.099 0.476 . . . . 0.0 109.857 175.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 871' ' ' VAL . 29.6 m -67.58 -52.8 34.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.823 177.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.84 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.857 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 869' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 865' ' ' ASP . 51.2 mtpt -63.49 -51.64 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.139 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 7.1 ptm -72.68 -30.74 64.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.287 -174.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.467 HG13 ' HB1' ' A' ' 826' ' ' ALA . 53.5 t -64.82 -44.24 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.781 0.324 . . . . 0.0 110.58 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -72.0 -34.74 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.32 92.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.52 96.37 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.56 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -51.74 -52.87 45.38 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.65 82.9 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.033 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.98 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 0.0 111.059 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.34 -67.39 0.8 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.566 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.92 -34.23 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.507 -173.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -107.66 83.12 1.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 172.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 9.7 Cg_exo -70.23 -27.09 24.65 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.882 2.388 . . . . 0.0 112.549 -171.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.26 -25.69 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 39.2 m -72.7 122.58 21.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -93.55 -30.6 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.597 -175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 mt-10 -60.71 -40.48 92.4 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.097 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 54.7 mm-40 -63.29 -45.82 89.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.087 0.47 . . . . 0.0 110.07 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -65.09 -43.74 91.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.1 mtt180 -61.66 -37.13 82.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.447 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 812' ' ' ILE . 53.1 tp -65.27 -39.95 93.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.642 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 68.8 mtp180 -53.63 -46.77 70.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.988 0.423 . . . . 0.0 110.631 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -75.52 -44.81 41.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.457 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.48 78.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.571 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 894' ' ' ALA . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 813' ' ' PHE . . . -68.47 -41.02 80.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.438 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.8 -28.8 67.89 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.728 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.04 75.44 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.377 174.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.41 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -67.48 -45.43 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 809' ' ' THR . 70.9 ttt180 -53.78 -48.85 69.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.379 175.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 20.4 ttt -62.36 -47.11 85.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.368 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.85 79.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.911 0.386 . . . . 0.0 111.383 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 901' ' ' THR . . . . . . . . . . . . . 16.6 m -67.44 -45.33 76.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.72 -40.61 88.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.51 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 903' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -65.14 -49.37 70.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.466 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.73 -35.41 74.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.058 0.456 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.63 -52.36 66.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.846 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -79.01 -22.64 45.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.594 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 907' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 18.2 t-20 -59.88 -45.86 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.654 -177.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -47.51 110.0 0.27 Allowed 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.987 0.804 . . . . 0.0 111.605 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 4.6 mp -76.83 123.35 33.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.427 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -93.91 120.85 34.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.961 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.671 176.791 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 4.5 mp -115.19 90.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.162 0.506 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -99.18 113.59 64.85 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.74 107.8 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.959 2.439 . . . . 0.0 112.371 -176.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -89.48 93.22 9.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.316 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.9 m 56.08 40.38 30.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.883 0.849 . . . . 0.0 110.395 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -83.11 49.93 1.64 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.947 -175.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -123.11 83.03 2.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.701 177.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -131.3 20.01 4.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.144 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 17.7 m -89.31 90.6 8.4 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.301 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -123.51 5.64 9.27 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.234 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 58.4 84.38 0.11 Allowed 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.062 0.545 . . . . 0.0 111.747 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -77.39 144.07 28.99 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.039 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.85 171.06 12.84 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.793 2.328 . . . . 0.0 112.191 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 799' ' ' ASP . . . -88.72 85.34 6.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.886 0.374 . . . . 0.0 110.47 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -76.74 48.39 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.815 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.681 ' HB3' ' HB1' ' A' ' 908' ' ' ALA . 28.7 tpt180 -106.31 -54.55 2.46 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 797' ' ' ARG . 6.6 m-85 -120.69 12.85 11.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 799' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 795' ' ' ALA . 30.2 t70 -67.31 -29.21 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.983 -168.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.08 -42.51 76.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.09 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -76.22 -41.39 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.456 HG22 HD11 ' A' ' 836' ' ' LEU . 19.9 p -62.74 -47.38 83.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.409 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -49.94 -42.71 49.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.151 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.7 m -60.49 -52.16 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.814 HD12 HD12 ' A' ' 836' ' ' LEU . 65.3 mt -62.69 -51.61 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.578 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 806' ' ' LEU . 1.7 mm? -53.58 -40.63 65.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.644 0.259 . . . . 0.0 111.16 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.3 m -76.05 -48.82 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.583 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.449 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 96.2 t -63.95 -30.95 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.208 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.691 HG21 ' HB2' ' A' ' 898' ' ' ARG . 58.6 m -52.84 -47.75 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 111.455 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -62.5 -25.91 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 83.3 m-20 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -172.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.59 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.1 mp -61.81 -37.9 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.233 0.539 . . . . 0.0 109.931 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -72.12 -27.14 62.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.595 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.2 m -76.03 -27.92 57.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 110.321 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 74.1 m -82.67 -3.35 56.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.558 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.0 mmt -48.48 128.52 14.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 119.38 -52.05 0.73 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.38 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 822' ' ' MET . 35.2 t70 -101.21 113.23 26.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 109.887 176.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.474 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.94 -47.63 79.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.557 -173.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.73 -44.95 60.78 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.707 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.8 tt0 -67.94 -37.4 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 117.029 0.414 . . . . 0.0 111.003 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 87.2 mtp -58.85 -45.75 89.37 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.084 0.468 . . . . 0.0 110.507 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.649 HG22 ' HA ' ' A' ' 875' ' ' LYS . 70.6 t -66.01 -33.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.734 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.49 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.6 ttp180 -62.01 -42.47 99.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.59 ' HB2' HG13 ' A' ' 812' ' ' ILE . 77.7 mm-40 -61.91 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -60.22 -39.08 85.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.038 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -64.13 -35.31 80.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.7 mt -64.5 -47.47 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.963 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.0 83.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.822 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.37 -47.46 76.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.07 93.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.285 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 863' ' ' LEU . 85.4 m -61.67 -39.0 89.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.3 m -64.14 -44.4 92.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.543 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.42 -37.92 89.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.198 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.814 HD12 HD12 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -63.75 -49.09 74.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.069 177.491 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.696 HG13 ' HB1' ' A' ' 860' ' ' ALA . 76.4 t -59.39 -41.76 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.001 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -59.23 -41.95 89.91 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.973 0.416 . . . . 0.0 110.626 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.64 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 836' ' ' LEU . 70.4 mt -58.1 -47.81 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.81 -52.06 67.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.819 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.41 82.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -68.71 -38.9 80.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.02 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 856' ' ' LEU . . . -64.86 -33.18 75.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.273 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.44 -32.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.51 -25.13 33.96 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.657 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.9 tp10 -60.39 132.63 54.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.695 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.9 m -92.97 -5.79 49.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.646 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.464 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 13.6 t70 -88.76 108.45 19.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 850' ' ' LEU . 0.8 OUTLIER -59.35 -47.23 86.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.808 -170.28 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.464 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 9.4 pt-20 -67.29 -33.88 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.002 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.532 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.7 t30 -68.54 -39.06 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.856 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 67.8 m -60.19 -49.33 78.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.565 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.828 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 855' ' ' LYS . 35.0 ttpt -62.74 -46.29 88.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.51 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 97.7 mt -61.03 -49.04 78.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.47 -30.92 71.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.455 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 50.5 m -77.46 -36.07 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.746 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.49 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.696 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -59.57 -41.41 90.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.26 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -58.65 -50.93 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.009 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.24 -48.34 89.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.496 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.2 tp -58.1 -55.77 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.739 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.93 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.481 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.29 -37.83 27.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 866' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -60.48 -33.78 73.09 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.433 ' OG1' HG21 ' A' ' 833' ' ' THR . 5.8 m -72.86 -42.31 63.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.165 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.52 80.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 110.29 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -60.66 -53.97 50.93 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.138 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 11.8 tpt -55.52 -52.47 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.194 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.491 ' HA ' ' HB1' ' A' ' 826' ' ' ALA . 40.9 t -59.0 -49.09 84.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.696 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.994 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.18 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.198 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.67 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.346 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.649 ' HA ' HG22 ' A' ' 823' ' ' VAL . 54.2 mtpt -58.44 -47.28 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.07 87.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.911 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.506 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -67.7 -27.72 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.149 0.499 . . . . 0.0 111.065 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -77.05 -63.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.684 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.548 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -64.78 -30.1 71.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.283 -175.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 880' ' ' HIS . . . . . 0.547 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 38.8 m80 -105.72 85.58 1.54 Allowed Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 16.7 Cg_exo -66.93 -57.86 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.839 2.359 . . . . 0.0 112.751 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.98 -3.99 35.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.736 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.547 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 21.1 m -74.68 97.6 3.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.032 0.444 . . . . 0.0 110.574 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.72 -30.06 69.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.076 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.93 -48.01 83.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 109.862 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 84.7 mm-40 -66.48 -41.65 88.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.493 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -57.34 -50.74 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.51 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 58.0 tp60 -58.56 -48.96 79.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.799 178.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -57.99 -41.45 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.492 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.01 -43.44 95.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.667 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 89.4 mtt180 -57.8 -40.97 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.278 0.561 . . . . 0.0 110.186 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 892' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 41.7 mt-10 -73.41 -43.65 60.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.13 62.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 894' ' ' ALA . . . . . 0.466 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -62.78 -50.38 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.312 . . . . 0.0 111.132 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.15 -28.49 67.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -71.49 -38.61 61.92 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.646 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.589 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.4 tm? -63.42 -46.87 84.34 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 174.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.691 ' HB2' HG21 ' A' ' 809' ' ' THR . 51.1 ttp180 -57.73 -47.34 82.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.06 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 26.0 ttt -58.4 -47.46 83.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.346 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.83 92.89 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.935 0.398 . . . . 0.0 110.941 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.52 HG21 ' HB ' ' A' ' 805' ' ' ILE . 30.7 m -66.36 -43.7 85.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.937 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 33.2 t-20 -58.2 -46.0 86.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.774 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.68 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.055 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.32 -29.98 71.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -63.05 -39.53 95.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.766 176.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -78.1 -23.51 47.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.993 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -70.89 -14.41 62.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.228 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 797' ' ' ARG . . . -72.39 96.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.673 178.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 63.6 mt -118.93 96.58 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.87 0.367 . . . . 0.0 111.074 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.427 ' HE3' ' HB3' ' A' ' 910' ' ' LYS . 16.1 ttpp -143.93 119.15 10.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.044 173.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt . . . . . 0 C--O 1.244 0.787 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.886 176.838 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 16.3 pt -64.01 139.58 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 12.5 t70 66.67 114.07 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 123.926 0.766 . . . . 0.0 110.459 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.19 30.38 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.892 2.394 . . . . 0.0 113.17 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 58.65 36.33 24.95 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.056 0.455 . . . . 0.0 110.191 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 30.3 m 67.1 93.13 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.574 -177.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -96.86 -16.92 20.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.873 177.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -131.48 124.29 29.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.68 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -64.14 -48.32 76.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.161 0.505 . . . . 0.0 110.15 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 16.5 m -80.5 106.4 12.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.827 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 130.08 -35.46 2.52 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -96.16 -34.29 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.005 0.431 . . . . 0.0 110.325 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 71.41 -142.85 34.67 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.356 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.04 114.54 3.78 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.55 2.167 . . . . 0.0 111.767 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -117.45 150.32 39.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 117.68 -20.91 10.77 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.054 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.35 -62.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.244 0.522 . . . . 0.0 111.49 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -86.75 -47.01 9.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.31 -170.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.86 -34.42 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.412 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.84 -45.38 86.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.107 0.48 . . . . 0.0 110.245 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -72.38 -44.16 62.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.049 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.868 HG21 ' HB2' ' A' ' 905' ' ' ALA . 46.7 p -67.26 -44.72 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.446 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.57 -35.89 75.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.216 0.531 . . . . 0.0 109.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 808' ' ' VAL . 93.0 m -67.34 -58.02 5.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.344 174.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.75 HG23 HD22 ' A' ' 829' ' ' LEU . 81.7 mt -55.79 -46.6 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 122.318 0.247 . . . . 0.0 111.614 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.0 mp -56.31 -42.36 77.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.389 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 31.0 m -76.69 -39.28 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.582 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.478 HG11 ' HB ' ' A' ' 828' ' ' ILE . 74.8 t -65.65 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 122.045 -0.409 . . . . 0.0 110.596 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 898' ' ' ARG . 93.4 m -57.74 -54.18 49.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.809 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.11 -25.52 65.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 110.218 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.74 -21.83 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.987 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.51 HG21 HD11 ' A' ' 890' ' ' LEU . 2.4 mp -65.01 -38.65 83.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -72.81 -32.25 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.387 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 16.7 t -68.97 -39.81 79.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.972 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 16.3 m -83.08 -6.3 59.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.529 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.439 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.3 ttm -53.1 119.37 4.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.735 -177.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 118.08 -0.27 16.98 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.478 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -134.68 117.02 15.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.623 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.11 -54.35 35.38 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.0 111.703 -174.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.59 -46.19 93.58 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.205 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 39.9 tp10 -68.39 -35.2 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.572 0.225 . . . . 0.0 111.266 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.439 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -66.08 -44.68 83.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.651 0.262 . . . . 0.0 110.853 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 57.9 t -66.06 -36.72 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.117 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 821' ' ' GLU . 76.9 ttt180 -52.07 -52.28 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.62 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -64.46 -39.31 93.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.996 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.29 82.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.771 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 30.0 mtm180 -66.02 -36.55 83.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.693 0.283 . . . . 0.0 110.671 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.478 ' HB ' HG11 ' A' ' 808' ' ' VAL . 55.7 mt -61.61 -39.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.983 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 805' ' ' ILE . 82.8 mt -62.31 -48.55 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.666 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.94 -49.97 66.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.151 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.28 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.629 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.51 HG23 ' HG ' ' A' ' 863' ' ' LEU . 49.6 m -58.59 -34.97 71.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.078 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.7 m -58.65 -33.44 70.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.82 -43.93 67.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.876 0.37 . . . . 0.0 110.213 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.81 -46.02 89.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 833' ' ' THR . 90.4 t -55.88 -37.83 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.704 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.43 -49.91 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.389 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.75 47.34 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.409 HG23 HD22 ' A' ' 856' ' ' LEU . 73.3 mt -60.02 -39.93 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.642 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 38.8 ttmt -68.18 -43.21 78.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.737 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.65 93.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.29 -36.08 82.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.542 ' HB1' ' HG ' ' A' ' 857' ' ' LEU . . . -66.99 -39.26 87.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 177.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 845' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 52.4 mt-10 -72.96 -15.13 61.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.083 0.468 . . . . 0.0 110.452 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -93.55 -36.9 5.71 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.12 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.32 127.71 33.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 39.5 m -82.15 -16.06 51.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.18 115.19 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -39.18 93.89 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.44 -36.98 82.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.45 -36.66 45.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.557 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 18.5 p -69.86 -45.22 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.719 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.3 -38.05 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.629 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.413 ' HB3' ' HE2' ' A' ' 855' ' ' LYS . 36.8 ttpt -61.01 -51.31 69.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.405 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 844' ' ' ALA . 90.2 mt -62.92 -44.43 96.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.542 ' HG ' ' HB1' ' A' ' 844' ' ' ALA . 75.0 mt -59.12 -41.97 89.44 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.056 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.9 m -68.32 -42.26 79.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.109 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.45 93.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.88 -43.51 71.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.8 -43.96 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.95 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.51 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.2 tp -58.09 -53.2 60.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.334 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.77 67.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.874 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.28 -35.44 35.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.412 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 866' ' ' ALA . . . . . 0.565 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -59.91 -36.24 76.58 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.454 ' OG1' HG21 ' A' ' 833' ' ' THR . 15.6 m -70.85 -46.52 62.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.072 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.55 78.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.454 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -70.68 -45.42 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.285 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.34 -52.24 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.827 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.5 t -61.28 -45.68 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.709 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -67.72 -37.57 82.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.3 82.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.508 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 874' ' ' ALA . . . . . 0.458 ' HA ' HD13 ' A' ' 890' ' ' LEU . . . -55.99 -44.07 78.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.281 176.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 871' ' ' VAL . 99.5 mttt -56.39 -51.81 66.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.17 86.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.596 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.52 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.35 -32.03 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.623 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -73.42 -59.07 2.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.36 -30.04 70.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.471 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -106.89 80.67 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.5 -40.26 18.95 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.564 2.176 . . . . 0.0 112.844 -169.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -76.95 -18.14 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.078 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 26.6 m -79.56 102.01 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.032 0.444 . . . . 0.0 111.216 -175.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 884' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 887' ' ' GLN . 42.0 mt-10 -73.57 -19.15 60.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 82.5 mm-40 -68.48 -40.81 80.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.003 174.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 78.0 mm-40 -59.48 -43.05 93.35 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.642 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -54.07 -53.82 47.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.37 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -56.15 -43.7 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.79 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.51 HD11 HG21 ' A' ' 812' ' ' ILE . 41.0 tp -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.112 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.5 mtt180 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.613 -174.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.23 -34.88 73.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.85 61.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.9 99.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.997 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 895' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 47.6 mt-10 -66.3 -38.84 88.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.164 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.02 95.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.691 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.565 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -64.21 -49.29 72.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.935 0.398 . . . . 0.0 110.267 176.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 809' ' ' THR . 28.6 ttt180 -60.56 -43.22 97.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.75 -46.88 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.774 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.37 94.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.065 0.46 . . . . 0.0 110.843 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.663 HG21 ' HB ' ' A' ' 805' ' ' ILE . 43.9 m -64.26 -51.8 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.022 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 906' ' ' GLN . 37.5 t-20 -58.19 -42.17 85.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.934 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.75 93.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.57 70.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 110.602 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -63.44 -42.14 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.975 176.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 906' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 64.0 mm-40 -70.9 -23.43 62.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.201 0.524 . . . . 0.0 110.422 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -78.25 -5.42 51.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.798 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -64.85 88.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.137 0.494 . . . . 0.0 110.927 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 47.0 mm -114.05 113.07 42.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.401 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -123.54 109.18 13.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.264 0.554 . . . . 0.0 110.695 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 80.3 mttt . . . . . 0 C--O 1.246 0.894 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.546 -177.386 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 12.8 mt -95.29 17.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 122.113 0.959 . . . . 0.0 108.966 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.78 158.85 72.55 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.328 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.26 139.26 89.25 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.908 2.405 . . . . 0.0 112.652 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -112.27 -176.2 2.86 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.174 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 15.1 m -65.47 -37.69 87.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 58.31 93.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.372 -1.285 . . . . 0.0 112.26 173.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -104.96 -4.58 21.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.27 0.557 . . . . 0.0 109.965 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -76.78 145.03 38.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.993 175.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 40.7 p 48.73 42.7 20.09 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.295 0.638 . . . . 0.0 111.694 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -151.6 35.82 0.86 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.83 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -119.22 -11.49 9.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.447 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -160.85 141.51 7.42 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.565 ' HB2' ' HG2' ' A' ' 910' ' ' LYS . 5.4 Cg_exo -79.67 111.32 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.865 2.377 . . . . 0.0 112.296 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -107.66 118.26 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.952 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 796' ' ' GLY . . . . . 0.894 ' HA3' ' HA ' ' A' ' 910' ' ' LYS . . . -109.88 -124.06 4.73 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.416 -175.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 19.3 ttp-105 -85.56 -47.66 9.66 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -168.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.62 ' CD2' ' HB2' ' A' ' 908' ' ' ALA . 12.9 m-30 -94.4 -8.39 38.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.51 -177.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.1 -30.03 69.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.035 -170.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -72.6 -32.77 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.051 0.453 . . . . 0.0 110.571 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.65 -42.95 21.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.808 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.441 HG23 HD11 ' A' ' 836' ' ' LEU . 12.5 p -64.4 -34.14 77.48 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.573 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -52.55 -44.15 65.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.439 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 808' ' ' VAL . 50.2 m -63.4 -54.73 32.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.54 HG23 HD22 ' A' ' 829' ' ' LEU . 76.4 mt -58.4 -49.11 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.198 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.6 mp -57.55 -44.73 85.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 34.2 m -69.91 -43.47 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.192 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 93.1 t -66.24 -31.1 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.547 0.213 . . . . 0.0 110.851 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 93.1 m -57.71 -42.83 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.772 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.37 -30.64 62.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.349 0.595 . . . . 0.0 110.157 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 5.6 m-20 -67.05 -32.51 73.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.135 -173.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.427 HD12 ' H ' ' A' ' 812' ' ' ILE . 4.2 mp -64.4 -36.34 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.58 -26.69 55.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.1 t -77.34 -33.76 55.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.5 p -83.38 -2.94 56.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.735 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.6 mmt -42.46 105.37 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.598 0.561 . . . . 0.0 112.373 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.32 -24.52 5.3 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.186 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -98.25 106.69 19.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 879' ' ' ALA . . . -65.59 -31.88 73.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 -173.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -76.7 -48.84 8.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.2 tt0 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -174.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.516 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 88.1 mtp -58.57 -40.76 84.03 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.917 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.701 HG22 ' HA ' ' A' ' 875' ' ' LYS . 54.3 t -69.12 -40.35 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.043 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.482 ' O ' HG13 ' A' ' 828' ' ' ILE . 74.6 ttt180 -56.23 -44.71 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.925 177.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 17.1 mm-40 -69.56 -38.46 77.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.864 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -39.21 80.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.964 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.06 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.694 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 824' ' ' ARG . 64.8 mt -65.71 -42.29 92.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.931 0.396 . . . . 0.0 109.976 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.54 HD22 HG23 ' A' ' 805' ' ' ILE . 52.1 mt -61.24 -50.52 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.707 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.72 -46.3 74.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -65.13 -43.86 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.67 77.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 837' ' ' VAL . 53.9 m -58.98 -40.45 84.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.709 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.1 m -59.17 -43.87 92.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.54 -38.72 87.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.633 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.504 HD12 HD12 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -68.68 -46.66 68.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.755 -178.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 833' ' ' THR . 83.5 t -57.72 -40.62 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.197 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.71 -39.38 84.46 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.853 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 836' ' ' LEU . 61.6 mt -60.92 -47.38 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.468 ' HE3' ' CG1' ' A' ' 837' ' ' VAL . 98.7 mttt -58.82 -47.17 85.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.882 0.372 . . . . 0.0 111.022 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.15 80.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.508 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.408 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 33.8 t70 -72.43 -31.48 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 109.956 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.14 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.29 -15.88 61.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.749 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -91.84 -2.99 68.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.755 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -78.0 148.25 34.48 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.511 0.324 . . . . 0.0 110.262 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.5 m -89.19 -28.03 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.925 0.393 . . . . 0.0 110.454 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.516 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 13.5 t70 -86.6 112.66 21.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 850' ' ' LEU . 2.3 tm? -63.98 -40.15 95.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.835 0.35 . . . . 0.0 110.797 -173.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -71.31 -39.55 71.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.42 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.516 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.6 t30 -68.04 -25.39 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.282 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.9 m -65.02 -46.0 83.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -65.38 -37.13 86.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.197 0.522 . . . . 0.0 109.72 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 852' ' ' ASN . 79.3 tttt -56.26 -48.87 75.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.697 175.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.22 -49.7 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 174.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.91 -34.87 70.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 36.6 t -58.51 -47.41 84.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.33 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.44 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.9 91.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -62.65 -47.54 83.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.62 -44.63 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.471 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.463 ' HG ' HG23 ' A' ' 833' ' ' THR . 8.2 tp -60.02 -57.48 12.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.757 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.38 62.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.936 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.87 -42.59 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.639 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.65 68.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.086 0.47 . . . . 0.0 110.061 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.43 ' OG1' HG21 ' A' ' 833' ' ' THR . 17.5 m -73.01 -47.03 48.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.076 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.63 82.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.82 -49.85 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.296 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.558 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.7 tpt -55.02 -51.17 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.906 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 40.0 t -58.36 -50.93 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.791 -176.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.91 -38.3 90.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 110.971 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.07 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.71 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.677 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.701 ' HA ' HG22 ' A' ' 823' ' ' VAL . 9.4 mtpm? -59.53 -47.69 84.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.039 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 876' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 880' ' ' HIS . . . -68.73 -40.49 85.34 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.754 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -72.01 -26.85 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.047 0.451 . . . . 0.0 111.021 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -75.66 -65.08 0.94 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.751 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.551 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -63.4 -29.78 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 880' ' ' HIS . . . . . 0.588 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 58.4 m-70 -107.06 81.66 0.99 Allowed Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 169.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.551 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 19.4 Cg_exo -65.81 -49.21 2.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.676 2.251 . . . . 0.0 112.89 -170.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.78 -7.9 56.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.217 -174.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.588 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 53.8 m -67.54 108.61 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 0.0 111.358 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 884' ' ' GLU . . . . . 0.586 ' H ' ' CD ' ' A' ' 884' ' ' GLU . 1.6 mp0 -57.35 -47.94 80.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.036 -177.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 tt0 -67.59 -35.82 79.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.746 -175.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 85.3 mm-40 -65.14 -41.15 95.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.727 0.299 . . . . 0.0 110.313 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.2 mm-40 -62.47 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.67 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.5 mtt180 -55.2 -44.31 75.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.371 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.413 HD21 ' CG2' ' A' ' 812' ' ' ILE . 43.8 tp -65.87 -41.68 91.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.222 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 75.7 mtp180 -61.42 -31.78 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.99 -47.32 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.97 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.558 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.16 -43.93 85.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.933 -176.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 894' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 898' ' ' ARG . . . -63.82 -42.13 97.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.94 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.51 -33.59 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.539 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.2 44.44 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.477 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.35 -45.84 83.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.602 . . . . 0.0 109.764 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 894' ' ' ALA . 46.7 ttt180 -55.96 -53.76 52.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.693 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 55.3 ttp -63.51 -44.49 94.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.13 90.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.996 0.427 . . . . 0.0 110.975 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.501 HG21 ' HB ' ' A' ' 805' ' ' ILE . 18.5 m -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.734 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 24.8 t-20 -61.15 -42.27 98.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 903' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -63.07 -48.02 80.45 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.579 176.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.74 72.42 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -59.62 -54.06 50.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.986 176.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -76.19 -23.75 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.853 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 907' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 7.6 t-20 -65.57 -40.93 93.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.743 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.62 ' HB2' ' CD2' ' A' ' 798' ' ' TYR . . . -62.0 119.05 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.503 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.06 133.72 20.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.417 171.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.894 ' HA ' ' HA3' ' A' ' 796' ' ' GLY . 3.7 mptp? -85.53 46.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.193 0.52 . . . . 0.0 111.691 -173.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 911' ' ' LYS . . . . . 0.465 ' HE3' ' HB2' ' A' ' 911' ' ' LYS . 20.3 ptmt . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.314 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 781' ' ' GLY . . . . . 0.869 ' HA2' HG22 ' A' ' 808' ' ' VAL . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 42.1 mm -89.25 73.53 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 170.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.24 146.24 37.65 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.356 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 785' ' ' PHE . 74.2 Cg_endo -74.02 176.89 8.89 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.384 2.056 . . . . 0.0 113.458 -173.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 785' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 784' ' ' PRO . 92.3 m-85 73.46 -56.94 0.64 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.028 -177.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 13.3 t -105.84 158.96 16.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 54.84 68.67 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -81.36 -13.24 58.55 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -140.56 122.65 15.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.32 174.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 7.7 m -79.38 -56.11 4.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.21 -176.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 159.61 60.7 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -80.1 136.21 36.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.709 0.29 . . . . 0.0 110.452 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 145.29 -135.27 5.91 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.86 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.07 118.37 5.24 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.843 2.362 . . . . 0.0 112.254 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -119.47 143.74 47.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.632 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -138.17 113.84 1.01 Allowed Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.073 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 64.93 -91.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.272 0.629 . . . . 0.0 111.581 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.427 ' HB3' HD21 ' A' ' 836' ' ' LEU . 1.6 m-85 -139.06 20.17 2.62 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 121.206 -0.198 . . . . 0.0 110.692 -175.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -66.19 -38.45 88.04 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.634 -167.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.34 -43.04 58.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 109.963 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.42 86.11 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.514 HG22 HD11 ' A' ' 836' ' ' LEU . 34.2 p -65.95 -49.19 68.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.314 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.73 -37.05 62.95 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 808' ' ' VAL . 54.2 m -56.6 -56.35 22.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.127 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.743 HD12 HD12 ' A' ' 836' ' ' LEU . 69.3 mt -61.39 -45.8 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.319 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 902' ' ' ASN . 1.4 mm? -53.16 -45.44 68.44 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.8 m -67.99 -42.41 80.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.489 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.869 HG22 ' HA2' ' A' ' 781' ' ' GLY . 47.9 t -64.9 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.408 HG21 ' HB2' ' A' ' 898' ' ' ARG . 96.6 m -53.56 -52.99 57.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.448 -176.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.53 -24.66 67.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.176 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -66.72 -24.05 66.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.767 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.413 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.6 mp -61.4 -36.8 75.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.154 177.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.46 -28.01 61.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 7.8 m -71.72 -41.31 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.22 0.533 . . . . 0.0 110.082 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.6 t -82.58 -8.69 59.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.629 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.4 ttm -50.1 111.39 0.51 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.318 -174.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.25 -23.93 3.81 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.622 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.59 121.13 41.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.286 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 879' ' ' ALA . . . -64.54 -33.92 77.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.26 -175.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -77.78 -56.95 3.66 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.105 -0.569 . . . . 0.0 113.707 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 44.3 mm-40 -68.19 -30.93 70.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.629 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 82.2 mtp -63.75 -41.2 98.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.569 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 81.3 t -68.92 -34.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 828' ' ' ILE . 52.9 ttt180 -54.56 -53.42 54.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.302 175.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.533 ' HA ' HD12 ' A' ' 828' ' ' ILE . 77.8 mm-40 -62.29 -40.37 96.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.52 96.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.64 -37.3 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 825' ' ' GLN . 84.7 mt -61.61 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.564 HD22 HG23 ' A' ' 805' ' ' ILE . 52.6 mt -59.35 -46.67 87.99 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.492 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -57.04 -50.49 72.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.23 -44.19 89.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.281 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.543 HG21 ' OG1' ' A' ' 867' ' ' THR . 85.7 m -61.51 -36.21 79.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.8 m -60.25 -45.47 93.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.573 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.643 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.743 HD12 HD12 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -62.42 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.257 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.681 HG13 ' HB1' ' A' ' 860' ' ' ALA . 73.4 t -59.69 -41.0 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.27 -44.45 95.31 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.48 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.977 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 836' ' ' LEU . 76.4 mt -62.79 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 178.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 837' ' ' VAL . 68.8 mttm -57.32 -46.02 83.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 110.772 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.06 82.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.203 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.8 -42.49 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.344 0.593 . . . . 0.0 109.648 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -60.63 -28.41 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -66.52 -35.69 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -81.86 -23.86 56.76 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.65 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 125.93 28.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.066 0.46 . . . . 0.0 110.696 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.4 m -81.58 -22.13 37.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -79.88 105.21 11.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.753 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 853' ' ' SER . 4.3 mp -63.25 -34.64 78.11 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 855' ' ' LYS . 41.1 mt-10 -60.51 -51.63 68.64 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.633 HD21 HG12 ' A' ' 909' ' ' ILE . 62.2 t30 -65.32 -41.09 94.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.625 176.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 850' ' ' LEU . 48.4 t -60.94 -51.26 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.771 -177.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -64.8 -33.39 75.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.144 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.518 ' HZ2' ' HA ' ' A' ' 852' ' ' ASN . 9.8 mtmp? -65.68 -37.86 87.66 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.649 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.36 -49.93 74.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.917 0.389 . . . . 0.0 110.475 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.58 -39.75 92.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.2 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.7 m -65.67 -43.25 89.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.553 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.78 -41.73 97.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.917 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.681 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -63.95 -47.28 81.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.8 -46.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.556 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.9 -57.02 14.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.475 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.77 -26.97 58.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.958 0.409 . . . . 0.0 111.268 -176.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.74 -35.19 22.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.312 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 866' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -60.18 -38.1 82.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.543 ' OG1' HG21 ' A' ' 833' ' ' THR . 6.0 m -65.08 -43.57 91.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.881 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.39 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.767 0.318 . . . . 0.0 111.012 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.33 -48.15 76.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.532 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.4 tpt -55.76 -52.73 62.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.574 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 830' ' ' ALA . 44.3 t -60.48 -46.01 96.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.595 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -65.45 -37.63 87.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.546 0.212 . . . . 0.0 111.346 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.39 77.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.503 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.61 96.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -55.42 -50.33 70.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.59 -41.0 66.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.731 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.09 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 0.0 111.066 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 822' ' ' MET . . . -72.78 -64.25 1.0 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.61 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -61.27 -31.52 71.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.346 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -106.59 81.69 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 170.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 22.8 Cg_exo -63.65 -48.53 5.49 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.86 2.373 . . . . 0.0 113.064 -166.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.14 -3.56 36.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.175 -174.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.505 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -77.05 96.15 4.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.138 0.494 . . . . 0.0 110.14 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.45 -22.7 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.349 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -65.66 -39.34 91.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 0.0 109.938 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -72.9 -38.01 67.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.064 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 883' ' ' SER . 76.3 mm-40 -57.84 -45.9 85.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.216 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -60.53 -44.74 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.153 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -62.34 -38.82 90.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 110.321 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.413 HD21 ' CG2' ' A' ' 812' ' ' ILE . 63.4 tp -63.05 -42.5 99.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.77 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.7 mtt180 -56.35 -44.27 79.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -73.72 -39.63 64.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.64 -47.04 73.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.296 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.78 99.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.265 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.85 -36.99 86.13 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.776 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.91 86.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.76 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.453 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -64.04 -46.93 82.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.408 ' HB2' HG21 ' A' ' 809' ' ' THR . 42.4 ttt180 -58.63 -47.04 85.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.649 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 21.8 ttt -58.24 -50.82 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.223 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.69 93.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 111.285 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.592 HG21 ' HB ' ' A' ' 805' ' ' ILE . 51.1 m -63.47 -48.36 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.572 ' HB2' HD11 ' A' ' 806' ' ' LEU . 63.4 t30 -65.16 -28.69 69.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.162 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -72.75 -44.49 61.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.02 74.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.456 . . . . 0.0 110.094 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -55.78 -44.84 78.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.724 174.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -78.52 -23.57 46.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.275 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.65 -8.04 58.27 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -54.34 127.3 26.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 909' ' ' ILE . . . . . 0.633 HG12 HD21 ' A' ' 852' ' ' ASN . 53.0 mt -59.18 110.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.134 -177.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -148.86 103.25 3.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.69 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.247 0.955 0 O-C-N 123.96 0.787 . . . . 0.0 110.456 -177.765 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.626 -0.59 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 782' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 782' ' ' ILE . 11.1 tp -101.67 13.85 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.776 0.798 . . . . 0.0 110.564 -174.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -126.57 92.43 45.09 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.749 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.66 28.01 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 123.005 2.47 . . . . 0.0 112.711 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -122.78 -52.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.178 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.0 m -89.11 78.62 7.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.059 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -156.68 151.75 26.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.471 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -113.63 95.95 5.61 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 174.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -119.51 140.27 50.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.353 -175.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 6.8 p -83.61 -14.35 52.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.642 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -93.31 139.87 14.8 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.633 177.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 65.57 90.0 0.09 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.282 0.563 . . . . 0.0 110.98 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -111.39 159.0 13.99 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.797 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.05 134.95 38.77 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.884 2.389 . . . . 0.0 111.951 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.684 ' HA ' ' HB2' ' A' ' 800' ' ' GLN . . . -102.27 111.05 23.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.782 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -78.49 108.64 2.69 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.791 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 24.1 mmm-85 54.38 38.56 29.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.227 0.537 . . . . 0.0 111.417 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.73 ' CE2' HG12 ' A' ' 840' ' ' ILE . 0.2 OUTLIER 77.07 -18.88 0.46 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.08 170.167 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.8 -38.25 83.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 800' ' ' GLN . . . . . 0.684 ' HB2' ' HA ' ' A' ' 795' ' ' ALA . 70.8 mt-30 -70.79 -29.17 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.902 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.47 22.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.917 0.389 . . . . 0.0 110.312 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.792 HG21 ' HB2' ' A' ' 905' ' ' ALA . 38.2 p -64.99 -37.24 87.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -46.7 -43.98 18.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 111.023 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 808' ' ' VAL . 18.8 m -63.8 -52.12 61.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.624 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.652 ' HB ' HG21 ' A' ' 901' ' ' THR . 62.7 mt -60.31 -49.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.505 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.514 ' CD1' ' HG3' ' A' ' 898' ' ' ARG . 1.1 mm? -54.92 -39.01 68.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.739 0.304 . . . . 0.0 110.995 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.7 m -76.05 -44.41 39.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.651 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.617 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 97.4 t -68.1 -31.05 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 898' ' ' ARG . 53.5 m -54.01 -53.22 55.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.92 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.8 -24.36 66.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.94 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.617 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 96.0 m-20 -58.3 -29.93 66.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.745 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.72 -38.06 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.615 0.245 . . . . 0.0 110.894 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -72.57 -35.07 67.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.9 0.381 . . . . 0.0 110.703 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.7 m -71.31 -40.65 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.173 0.511 . . . . 0.0 110.658 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 15.0 m -83.08 -2.83 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.316 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.588 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 43.2 ttm -55.38 126.25 24.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.08 0.466 . . . . 0.0 110.744 -178.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 122.57 -30.23 5.2 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.96 117.15 34.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.565 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -66.86 -40.51 87.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.872 -173.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -70.64 -41.33 65.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.936 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.58 -41.71 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.565 0.221 . . . . 0.0 111.253 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -60.54 -45.35 94.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.501 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.654 HG22 ' HA ' ' A' ' 875' ' ' LYS . 70.8 t -66.91 -36.61 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.165 0.507 . . . . 0.0 110.279 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 828' ' ' ILE . 67.6 ttt180 -61.44 -48.51 80.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.64 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -61.49 -40.16 93.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.53 82.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.227 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 827' ' ' ARG . 53.8 mtp180 -68.33 -32.46 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.656 0.265 . . . . 0.0 110.857 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.0 mt -63.6 -41.44 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.574 HD22 HG23 ' A' ' 805' ' ' ILE . 83.2 mt -60.58 -45.56 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.583 174.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.72 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.23 -43.8 97.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.215 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 837' ' ' VAL . 52.7 m -60.89 -33.94 73.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.728 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.3 m -57.7 -39.91 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.04 -41.67 90.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.11 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.548 ' O ' HG13 ' A' ' 840' ' ' ILE . 27.1 mt -66.64 -47.47 72.48 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.725 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 833' ' ' THR . 99.5 t -53.82 -41.3 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.797 0.332 . . . . 0.0 110.411 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -65.74 -49.84 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.94 -54.16 48.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.73 HG12 ' CE2' ' A' ' 798' ' ' TYR . 53.0 mt -56.69 -46.06 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.003 0.43 . . . . 0.0 111.414 -175.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -72.91 -32.87 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.536 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.48 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.958 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.441 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.5 t70 -75.63 -27.0 58.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.043 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.41 -23.93 67.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.521 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.41 -23.27 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.94 65.25 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.587 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 8.8 tp10 -76.55 133.8 39.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.985 0.421 . . . . 0.0 110.198 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 31.8 t -86.76 -15.06 40.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.217 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 17.7 t70 -89.25 112.47 23.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -31.75 67.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.582 -172.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -64.9 -44.0 91.02 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.408 ' OD1' ' HE3' ' A' ' 855' ' ' LYS . 53.8 t30 -66.58 -39.05 88.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 175.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 46.6 m -56.61 -47.76 78.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.978 0.418 . . . . 0.0 110.086 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -63.55 -37.07 85.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.965 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 855' ' ' LYS . 1.7 tmmt? -69.2 -37.87 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.651 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.61 -44.02 87.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.897 0.38 . . . . 0.0 110.36 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 853' ' ' SER . 85.4 mt -57.92 -41.08 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 6.3 p -72.3 -29.25 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.169 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.38 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.939 0.4 . . . . 0.0 110.231 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.19 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.315 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.25 -44.13 92.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.913 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.93 -51.35 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.424 ' HG ' HG23 ' A' ' 833' ' ' THR . 14.0 tp -54.75 -52.09 63.62 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.012 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.14 66.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.3 -175.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.18 -30.47 22.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.384 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.86 75.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 23.8 m -70.94 -41.33 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.084 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.87 -52.53 64.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.712 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -58.62 -43.49 89.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.671 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.45 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.8 tpt -59.63 -56.08 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.332 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.485 HG12 ' HE3' ' A' ' 875' ' ' LYS . 55.9 t -60.58 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.764 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 45.7 mm-40 -64.94 -41.36 95.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.549 0.214 . . . . 0.0 111.101 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 873' ' ' ALA . . . . . 0.423 ' HB1' ' HG3' ' A' ' 889' ' ' ARG . . . -65.87 -41.8 91.17 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.502 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.05 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.834 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.654 ' HA ' HG22 ' A' ' 823' ' ' VAL . 94.8 mttt -54.25 -49.76 68.78 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.05 177.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.15 -44.67 59.52 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.596 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.63 -28.74 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.062 0.458 . . . . 0.0 111.477 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.565 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -78.9 -66.06 0.91 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.826 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.51 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -58.89 -37.52 76.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -107.12 85.54 2.07 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.6 Cg_exo -62.92 -36.99 57.22 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.608 2.205 . . . . 0.0 112.352 -171.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.56 -30.7 57.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.78 -171.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 19.2 p -61.58 110.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 111.644 -174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -71.58 -28.33 63.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.726 -174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.35 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.093 0.473 . . . . 0.0 110.124 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -70.25 -44.36 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.4 mm-40 -57.88 -46.34 85.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -58.56 -50.73 72.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.533 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.423 ' HG3' ' HB1' ' A' ' 873' ' ' ALA . 16.8 ptm180 -69.53 -28.98 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.027 -177.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.97 -46.5 84.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.519 0.2 . . . . 0.0 110.678 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.5 mtt180 -57.9 -46.66 84.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.25 -38.87 85.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.65 -45.83 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.14 98.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.53 -39.11 88.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.509 176.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.07 85.85 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.904 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.09 -46.62 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.647 ' HB2' HG21 ' A' ' 809' ' ' THR . 29.1 ttp180 -59.56 -46.39 89.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 46.4 tpp -61.12 -43.72 98.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.652 HG21 ' HB ' ' A' ' 805' ' ' ILE . 39.5 m -64.73 -50.56 66.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.015 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -51.47 -51.27 56.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.712 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 903' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -66.1 -41.76 90.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.292 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.13 69.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.912 0.387 . . . . 0.0 111.201 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.792 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -65.98 -51.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.87 -22.04 59.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.561 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 907' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 5.6 t-20 -61.35 -21.94 64.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.807 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.402 ' HB2' ' CG ' ' A' ' 798' ' ' TYR . . . -69.34 85.02 0.39 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.07 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 47.7 mm -118.72 105.0 16.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.085 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' A' ' 910' ' ' LYS . 4.6 ttpm? -166.47 90.82 0.42 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.956 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 911' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 911' ' ' LYS . 50.3 mtpt . . . . . 0 C--O 1.252 1.202 0 O-C-N 123.688 0.617 . . . . 0.0 111.12 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 782' ' ' ILE . . . . . 0.686 HD11 ' HE1' ' A' ' 785' ' ' PHE . 8.6 tp -142.12 128.86 19.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.053 0.454 . . . . 0.0 110.708 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 783' ' ' ASP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 2.9 m-20 -79.78 135.67 55.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.491 175.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 784' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 25.2 Cg_exo -62.52 113.59 2.01 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.5 2.133 . . . . 0.0 112.035 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 785' ' ' PHE . . . . . 0.686 ' HE1' HD11 ' A' ' 782' ' ' ILE . 82.2 m-85 -69.64 -39.31 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.486 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.1 p -81.05 -41.42 22.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.531 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 59.77 -89.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.895 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -167.87 150.9 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -71.6 117.92 13.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.895 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 14.1 p -90.75 -81.5 0.31 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.78 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -120.33 16.75 9.83 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.576 -0.609 . . . . 0.0 111.576 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -164.67 -171.05 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.441 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -69.9 149.93 48.46 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.666 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 910' ' ' LYS . 11.0 Cg_exo -72.14 53.58 2.07 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.231 2.621 . . . . 0.0 112.645 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -88.75 90.84 8.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.404 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -131.15 -51.27 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.489 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.453 ' HB2' ' CB ' ' A' ' 785' ' ' PHE . 34.0 ttt180 -55.96 -61.86 2.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.98 0.419 . . . . 0.0 111.239 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -74.42 -22.59 59.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.41 -42.47 78.95 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.424 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -63.16 -45.81 90.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.106 0.479 . . . . 0.0 110.376 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 801' ' ' ALA . . . . . 0.442 ' HB1' ' HG ' ' A' ' 836' ' ' LEU . . . -64.72 -44.01 91.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.473 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.664 HG21 ' HB2' ' A' ' 905' ' ' ALA . 22.9 p -72.56 -38.21 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.574 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.98 -41.7 83.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.686 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 808' ' ' VAL . 34.2 m -58.09 -52.32 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.295 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.683 HG23 HD22 ' A' ' 829' ' ' LEU . 80.5 mt -59.43 -49.71 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.36 -39.88 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.487 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.4 m -75.22 -43.98 48.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.35 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 804' ' ' THR . 79.6 t -65.18 -37.06 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.039 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 898' ' ' ARG . 92.2 m -55.78 -52.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.34 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.76 -26.12 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 3.8 m-80 -68.78 -26.91 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.873 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.483 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.8 mp -63.72 -41.71 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 813' ' ' PHE . . . . . 0.431 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 92.3 m-85 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.2 t -78.09 -34.76 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -83.81 -3.77 58.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.563 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 83.6 mtp -50.15 116.55 1.9 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.018 0.437 . . . . 0.0 111.394 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.76 -39.7 1.71 Allowed Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -104.06 123.01 46.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.745 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.37 -54.8 27.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.996 -174.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.25 80.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.048 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.64 -47.92 61.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.665 -0.315 . . . . 0.0 111.066 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.601 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 85.9 mtp -62.11 -40.71 96.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.991 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.02 -35.81 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.412 ' O ' HG13 ' A' ' 828' ' ' ILE . 25.1 ttm-85 -56.86 -50.87 71.15 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.078 0.466 . . . . 0.0 110.596 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -62.42 -39.29 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.021 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.26 86.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.027 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -65.27 -41.58 94.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 824' ' ' ARG . 65.9 mt -60.01 -42.31 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.277 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.683 HD22 HG23 ' A' ' 805' ' ' ILE . 90.2 mt -63.84 -44.38 93.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -79.64 -48.5 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.8 81.83 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.43 HG21 ' OG1' ' A' ' 867' ' ' THR . 52.9 m -60.27 -37.1 79.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.6 t -58.55 -50.74 72.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.4 -36.53 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -66.92 -49.35 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 177.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.556 HG13 ' HB1' ' A' ' 860' ' ' ALA . 54.7 t -57.93 -41.39 79.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.208 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -57.74 -44.97 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.397 . . . . 0.0 110.401 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.57 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.924 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 836' ' ' LEU . 68.4 mt -58.39 -45.5 89.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.84 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.2 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.3 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.836 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -35.92 64.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.165 173.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.445 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -61.09 -43.94 98.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.59 -20.57 59.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.416 . . . . 0.0 110.567 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -100.66 4.0 56.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.439 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.63 132.64 34.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 44.8 m -85.89 -17.92 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.259 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.76 122.38 28.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.824 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 850' ' ' LEU . 0.3 OUTLIER -70.34 -46.38 64.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.404 -171.741 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.45 -36.03 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.252 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.534 ' HA ' ' HD3' ' A' ' 855' ' ' LYS . 65.7 t30 -73.02 -31.24 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.0 t -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 854' ' ' ARG . 44.8 mtt180 -65.49 -45.37 83.89 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.913 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 10.1 mtpm? -55.53 -48.0 75.41 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.672 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 844' ' ' ALA . 93.8 mt -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.039 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.28 -45.14 95.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.359 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 26.2 p -67.14 -39.61 86.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.873 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.48 96.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.52 0.2 . . . . 0.0 110.701 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.81 -40.18 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.75 -39.93 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.845 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 88.7 mt -67.45 -47.72 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.093 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -57.58 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.883 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.73 -34.03 67.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 0.0 110.845 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.01 -42.39 26.67 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.723 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.04 68.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 871' ' ' VAL . 22.8 m -67.74 -52.84 32.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.22 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.36 -40.71 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.795 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -57.48 -48.05 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 15.9 ptm -77.25 -30.24 54.35 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.343 -175.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 867' ' ' THR . 70.3 t -65.1 -48.23 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.652 0.263 . . . . 0.0 110.396 177.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 10.8 mm-40 -63.57 -38.57 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.496 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.21 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.783 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.99 99.13 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -53.81 -50.57 65.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.015 0.436 . . . . 0.0 110.594 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.09 86.24 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.874 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.8 -29.64 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.259 0.552 . . . . 0.0 111.388 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.09 -62.91 1.45 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.133 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.574 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -60.57 -31.79 70.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.191 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -106.62 82.5 1.03 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.7 Cg_exo -67.24 -29.52 38.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.718 2.278 . . . . 0.0 112.064 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.6 -30.91 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.97 -175.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.8 t -66.11 107.15 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 -176.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.31 -27.0 52.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.141 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 39.6 tt0 -63.71 -41.15 98.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.145 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.34 -34.28 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.662 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 64.5 mm-40 -64.02 -45.56 88.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.992 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -64.81 -42.79 94.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.871 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 58.8 mtp180 -56.64 -42.88 79.64 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 109.976 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.483 HD21 ' CG2' ' A' ' 812' ' ' ILE . 57.0 tp -63.45 -47.71 80.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.885 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 65.7 mtp180 -51.12 -53.68 32.06 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.296 0.372 . . . . 0.0 110.934 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -56.03 -51.14 68.86 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.343 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.42 74.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.769 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.69 76.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.3 -36.43 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.03 96.64 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.552 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.96 -38.94 93.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.561 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.54 ' HB2' HG21 ' A' ' 809' ' ' THR . 56.0 ttt180 -62.35 -46.53 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 109.583 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.08 -41.76 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.068 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.223 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.439 HG21 ' HB ' ' A' ' 805' ' ' ILE . 40.1 m -62.63 -46.89 86.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 31.9 t-20 -62.08 -32.23 72.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.285 0.564 . . . . 0.0 110.065 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -74.46 -41.2 61.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.83 -27.6 68.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.186 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.664 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -58.82 -36.78 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.186 175.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -78.41 -22.86 47.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.198 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -72.25 -6.99 46.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.704 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 910' ' ' LYS . . . -53.74 129.47 33.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.888 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.13 114.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.284 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 908' ' ' ALA . 31.2 mtmm -117.35 135.53 53.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.677 -177.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 57.3 mttp . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.964 174.537 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 782' ' ' ILE . . . . . 0.533 HD13 ' H ' ' A' ' 782' ' ' ILE . 0.2 OUTLIER -136.41 177.41 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 178.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -98.68 112.19 62.04 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' PRO . . . . . 0.653 ' HB2' ' HB2' ' A' ' 787' ' ' ALA . 32.8 Cg_exo -57.71 112.77 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.69 2.26 . . . . 0.0 111.811 -179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -75.05 -41.2 59.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.829 -172.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.7 m -97.72 17.05 18.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.316 0.579 . . . . 0.0 110.837 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.653 ' HB2' ' HB2' ' A' ' 784' ' ' PRO . . . -69.5 -37.89 77.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.564 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -93.14 -174.93 3.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.177 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 65.88 98.95 0.04 OUTLIER 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.763 0.664 . . . . 0.0 111.111 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.4 t -56.09 135.04 53.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.889 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 126.23 -172.74 17.97 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.667 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -138.88 -39.18 0.5 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.937 0.398 . . . . 0.0 110.736 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -162.04 139.04 5.72 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.709 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -62.11 140.9 86.43 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.499 2.133 . . . . 0.0 112.301 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.728 ' HB3' ' HA ' ' A' ' 799' ' ' ASP . . . -82.57 25.43 0.64 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.267 0.556 . . . . 0.0 111.268 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 796' ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' A' ' 910' ' ' LYS . . . 66.46 -88.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.307 -0.86 . . . . 0.0 113.638 176.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 798' ' ' TYR . 34.1 ttm180 -89.39 -54.3 4.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.693 0.282 . . . . 0.0 111.485 -172.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.446 ' HD2' ' HB2' ' A' ' 908' ' ' ALA . 23.0 m-85 -100.07 39.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.672 0.272 . . . . 0.0 110.404 -175.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 799' ' ' ASP . . . . . 0.728 ' HA ' ' HB3' ' A' ' 795' ' ' ALA . 5.6 p-10 -68.07 -41.65 81.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.604 -172.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -73.56 -49.14 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.9 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 33.7 p -68.64 -42.63 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -49.78 -48.16 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 808' ' ' VAL . 30.2 m -57.56 -51.17 70.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.067 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.569 ' HB ' HG21 ' A' ' 901' ' ' THR . 78.7 mt -62.6 -46.81 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.623 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 806' ' ' LEU . 1.3 mm? -52.17 -44.22 64.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.702 0.286 . . . . 0.0 111.225 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 807' ' ' THR . . . . . 0.554 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 26.9 m -76.29 -43.93 39.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.018 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.577 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 84.9 t -63.05 -28.81 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 O-C-N 122.118 -0.364 . . . . 0.0 110.781 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 898' ' ' ARG . 53.9 m -54.53 -52.79 60.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.096 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.84 ' HB3' HH22 ' A' ' 898' ' ' ARG . 10.0 pt-20 -67.44 -24.51 65.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.788 -176.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.577 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.4 m-20 -59.92 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.433 HG21 HD11 ' A' ' 890' ' ' LEU . 2.9 mp -61.41 -36.11 70.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.82 0.343 . . . . 0.0 110.37 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -75.69 -28.56 58.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.5 m -76.68 -40.26 49.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.216 0.531 . . . . 0.0 110.151 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.581 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 18.9 m -82.14 -3.71 55.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.594 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.7 ttm -56.2 123.2 13.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.063 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.79 -36.61 2.09 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' ASP . . . . . 0.471 ' OD2' ' HG2' ' A' ' 821' ' ' GLU . 16.6 t70 -108.63 131.79 54.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.799 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -65.21 -55.97 15.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.583 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.41 -40.77 78.28 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.35 -0.453 . . . . 0.0 113.235 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 815' ' ' SER . 39.5 mm-40 -62.6 -50.59 70.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 111.207 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.6 mtp -63.33 -41.7 98.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.412 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 875' ' ' LYS . 99.2 t -64.54 -39.33 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 828' ' ' ILE . 36.8 ttp-105 -64.3 -41.94 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.778 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 82.8 mm-40 -61.74 -41.82 98.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.652 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -62.69 -40.21 96.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -64.93 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 824' ' ' ARG . 84.7 mt -61.59 -44.04 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.955 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.417 HD22 HG23 ' A' ' 805' ' ' ILE . 49.0 mt -58.07 -46.36 85.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.068 176.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.401 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.83 -45.43 90.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.952 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.68 -46.72 84.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.35 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.271 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.519 HG21 ' OG1' ' A' ' 867' ' ' THR . 99.3 m -63.49 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.771 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.2 m -61.39 -33.27 73.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.52 -50.05 72.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.811 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 805' ' ' ILE . 20.4 mt -64.34 -47.3 79.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.759 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 833' ' ' THR . 80.1 t -51.99 -47.65 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.728 0.299 . . . . 0.0 110.718 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -72.47 -44.31 62.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.73 78.55 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.23 -43.53 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -67.3 -37.83 84.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.868 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.64 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.74 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.93 -33.09 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.321 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.98 68.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -73.15 -26.77 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.648 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -94.01 -17.88 39.11 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.803 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.12 118.95 11.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.909 0.385 . . . . 0.0 110.359 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.3 p -84.28 -15.73 45.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.712 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.52 115.87 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 850' ' ' LEU . 21.3 tp -65.83 -43.04 89.71 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.439 -173.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.7 -45.02 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.392 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.464 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.4 t30 -68.61 -33.5 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 24.9 t -63.58 -47.91 79.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.31 -41.32 93.24 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.681 174.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -66.99 -42.29 85.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.332 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 90.0 mt -64.8 -43.06 94.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.438 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.24 -42.74 99.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 22.7 t -60.59 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.412 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.7 77.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.33 92.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.945 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.98 -53.07 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.587 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.74 -44.43 90.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.751 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.448 ' HA ' ' HB1' ' A' ' 900' ' ' ALA . 12.7 tp -60.19 -55.75 30.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.333 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.68 55.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.53 -39.83 21.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 866' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.72 -36.97 72.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.519 ' OG1' HG21 ' A' ' 833' ' ' THR . 8.0 m -68.68 -46.16 69.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.331 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.41 77.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.794 -0.185 . . . . 0.0 111.027 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -65.31 -39.13 92.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.648 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.3 tpt -62.44 -53.54 53.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.105 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.519 ' HA ' ' HB1' ' A' ' 826' ' ' ALA . 55.2 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.56 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.99 -38.43 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.173 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.31 84.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.493 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.3 86.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.745 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.618 ' HA ' HG22 ' A' ' 823' ' ' VAL . 57.7 mtpt -57.27 -44.35 83.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.5 -43.38 61.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.46 64.72 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.076 0.465 . . . . 0.0 111.106 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.799 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -81.27 -61.46 1.94 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.8 78.07 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 -175.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -106.64 81.13 0.82 Allowed Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -61.5 -36.41 77.09 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.637 2.225 . . . . 0.0 112.724 -168.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.05 -13.76 59.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.356 -173.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 70.3 m -72.05 103.5 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -174.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.35 -42.14 90.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.783 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 1.8 mp0 -53.03 -50.07 64.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.664 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -66.54 -36.73 83.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.847 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -58.96 -50.57 73.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.429 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 58.4 tp60 -59.06 -44.74 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 86.5 mtt180 -57.74 -40.69 80.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.678 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.433 HD11 HG21 ' A' ' 812' ' ' ILE . 54.9 tp -65.18 -43.7 90.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.127 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 98.3 mtt180 -55.85 -51.1 68.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.29 -28.85 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.29 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -72.23 -45.12 61.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.267 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.99 -44.58 96.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.242 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.61 -34.8 77.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.596 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.07 -37.47 87.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.64 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 897' ' ' LEU . . . . . 0.551 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.7 tm? -66.78 -45.98 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.84 HH22 ' HB3' ' A' ' 810' ' ' GLU . 28.7 ttm180 -60.57 -44.31 96.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.09 -45.55 92.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.909 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 900' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -64.74 -45.8 84.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.569 HG21 ' HB ' ' A' ' 805' ' ' ILE . 51.2 m -63.75 -45.93 87.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.886 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 27.8 t-20 -61.75 -39.42 91.54 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.96 98.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.724 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 904' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' A' ' 907' ' ' ASN . . . -63.05 -29.09 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.086 0.469 . . . . 0.0 110.439 175.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -67.94 -32.95 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.817 177.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -78.1 -37.73 45.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.244 173.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 907' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 904' ' ' ALA . 13.7 m-80 -59.43 -27.02 65.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.05 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 908' ' ' ALA . . . . . 0.446 ' HB2' ' HD2' ' A' ' 798' ' ' TYR . . . -65.97 110.5 2.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.199 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 76.3 mt -69.65 132.65 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.195 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 910' ' ' LYS . . . . . 0.703 ' HA ' ' HA3' ' A' ' 796' ' ' GLY . 14.0 ptmm? -64.05 126.41 27.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.361 176.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 52.0 pttt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.085 178.031 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 782' ' ' ILE . . . . . 0.415 ' O ' HG13 ' A' ' 782' ' ' ILE . 10.7 tp -88.67 31.03 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 122.06 0.934 . . . . 0.0 109.857 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 783' ' ' ASP . . . . . 0.479 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 6.8 m-20 -68.93 128.8 92.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.826 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 784' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 11.2 Cg_endo -90.16 101.92 0.3 Allowed 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.249 2.633 . . . . 0.0 111.97 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -91.02 153.78 19.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.217 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 6.0 t 48.03 30.93 2.22 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.168 0.987 . . . . 0.0 111.439 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 792' ' ' ALA . . . -68.32 117.53 10.24 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.774 -176.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.435 ' O ' ' HB2' ' A' ' 792' ' ' ALA . 34.8 p-80 -70.94 129.57 39.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.697 174.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -66.87 148.39 52.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.627 -173.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 24.1 m 68.83 88.99 0.11 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.15 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 99.99 33.53 5.2 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -173.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 787' ' ' ALA . . . -100.53 -174.69 2.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.978 0.418 . . . . 0.0 111.004 -176.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 100.04 -167.45 20.62 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.696 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.471 ' HA ' ' OE1' ' A' ' 800' ' ' GLN . 16.9 Cg_exo -66.86 124.54 12.43 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.555 2.17 . . . . 0.0 111.153 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -57.49 113.0 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 796' ' ' GLY . . . . . 0.479 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . 66.84 -108.43 2.42 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -172.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -154.79 -53.96 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.688 0.28 . . . . 0.0 110.263 171.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -105.79 -0.77 25.05 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' ASP . . . . . 0.479 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 4.9 m-20 -68.43 -30.19 69.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.049 -169.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 800' ' ' GLN . . . . . 0.471 ' OE1' ' HA ' ' A' ' 794' ' ' PRO . 52.6 mt-30 -70.68 -40.17 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 177.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.96 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.669 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.588 HG21 ' HB2' ' A' ' 905' ' ' ALA . 22.1 p -68.94 -35.67 77.07 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.41 -45.7 73.01 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.0 m -59.37 -54.21 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.587 HG23 HD22 ' A' ' 829' ' ' LEU . 80.4 mt -60.5 -48.9 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.24 -48.21 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.3 m -68.7 -45.28 72.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.484 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 804' ' ' THR . 80.2 t -61.91 -35.07 65.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 0.0 110.561 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.76 HG21 ' HB2' ' A' ' 898' ' ' ARG . 85.8 m -67.26 -49.2 65.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.83 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.09 -25.52 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.794 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -70.46 -21.69 62.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.716 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 816' ' ' MET . 19.2 mm -60.59 -49.63 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 109.663 176.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 813' ' ' PHE . . . . . 0.407 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 40.8 m-85 -64.2 -28.31 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.69 -178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.0 m -78.08 -31.97 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.1 m -82.84 -11.52 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.489 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.643 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 87.4 mtp -51.42 120.82 5.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.293 0.568 . . . . 0.0 111.263 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.84 -28.18 5.49 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.59 111.0 21.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.449 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.72 -54.24 34.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.844 -172.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.32 -33.27 74.97 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.251 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.1 mm-40 -67.0 -51.8 50.56 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.59 -0.359 . . . . 0.0 110.645 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.643 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.7 mtp -58.25 -43.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.334 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.0 t -63.55 -42.79 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 828' ' ' ILE . 11.8 ttm180 -59.07 -50.08 75.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.474 ' HA ' HD12 ' A' ' 828' ' ' ILE . 85.8 mm-40 -62.23 -34.56 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.41 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 22.2 mtm180 -68.7 -31.75 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 825' ' ' GLN . 69.3 mt -63.31 -41.42 92.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.742 175.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.587 HD22 HG23 ' A' ' 805' ' ' ILE . 48.1 mt -61.9 -45.69 92.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.631 176.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.63 85.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.746 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.46 -53.78 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.778 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.13 97.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.727 -177.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.554 HG21 ' OG1' ' A' ' 867' ' ' THR . 98.2 m -61.21 -40.22 93.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.6 m -63.25 -40.56 97.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.607 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.23 -37.81 84.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -69.2 -48.65 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.025 -178.568 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.68 HG13 ' HB1' ' A' ' 860' ' ' ALA . 92.2 t -57.47 -41.42 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.582 -177.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.64 -41.71 91.11 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.69 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.56 85.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.845 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 836' ' ' LEU . 73.3 mt -59.77 -49.77 82.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.826 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 98.3 mttt -61.55 -51.51 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.825 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.94 75.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.911 0.386 . . . . 0.0 111.396 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -78.14 -34.3 49.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 0.0 110.175 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.93 99.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.637 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 845' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.1 mt-10 -67.33 -34.77 78.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.249 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -73.89 -22.02 78.55 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.437 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.87 129.29 39.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 18.5 m -76.63 -26.24 54.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.498 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.3 109.8 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.88 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.741 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.42 -47.25 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.333 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.24 -36.01 82.68 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 23.5 t -60.49 -49.72 76.44 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -60.45 -47.83 84.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.168 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -60.08 -40.77 90.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.472 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -44.73 88.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.716 0.293 . . . . 0.0 110.553 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.53 -38.49 91.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 51.0 m -66.25 -46.09 78.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.35 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.58 97.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.68 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.72 -39.83 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.747 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.13 -48.89 69.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.481 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.1 -44.2 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.445 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.415 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.7 tp -62.88 -57.77 9.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.311 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.99 -25.86 59.12 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.254 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.49 -40.89 17.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.68 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.26 69.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.554 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.3 m -65.74 -49.36 68.71 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.188 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.62 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.763 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.84 -41.73 98.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.561 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.539 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.8 OUTLIER -64.72 -56.23 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.768 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.36 -48.03 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.899 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.81 -28.84 67.11 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.225 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -74.35 -43.36 56.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.88 99.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.964 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -56.41 -38.32 71.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.111 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -80.48 -41.77 11.03 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.481 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -67.54 -34.5 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.151 0.5 . . . . 0.0 111.247 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.451 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -74.06 -62.43 1.51 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.016 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.46 72.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -107.1 80.66 0.85 Allowed Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 169.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.82 -26.38 38.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.469 2.113 . . . . 0.0 112.283 -171.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.19 -30.82 58.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.605 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.6 m -68.83 104.06 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.543 -174.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.17 -30.08 69.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.131 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.0 -42.97 81.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 110.08 176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 84.7 mm-40 -67.08 -43.45 82.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 17.1 mm-40 -62.09 -44.17 97.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.51 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 25.8 tp60 -60.36 -41.52 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -60.98 -45.57 94.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.339 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 890' ' ' LEU . . . . . 0.425 HD11 ' HE2' ' A' ' 870' ' ' MET . 63.8 tp -64.46 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.461 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 891' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.6 mtt180 -48.13 -51.96 22.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.072 0.463 . . . . 0.0 110.693 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -80.51 -34.36 35.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.986 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 893' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.28 -48.17 62.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.584 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 894' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -70.56 -43.33 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.69 0.281 . . . . 0.0 110.779 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.89 -38.59 89.15 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -62.71 -38.04 95.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.742 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.46 -47.67 83.0 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 898' ' ' ARG . . . . . 0.76 ' HB2' HG21 ' A' ' 809' ' ' THR . 25.0 ttp180 -61.45 -43.92 98.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 178.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -59.73 -47.72 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.846 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.66 96.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.883 0.373 . . . . 0.0 111.037 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 901' ' ' THR . . . . . 0.577 HG21 ' HB ' ' A' ' 805' ' ' ILE . 42.3 m -64.35 -46.52 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.137 0.494 . . . . 0.0 110.688 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 902' ' ' ASN . . . . . 0.529 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 34.4 t-20 -62.27 -41.27 98.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.754 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.55 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.71 -29.5 70.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.289 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 905' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -63.91 -36.68 84.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.974 176.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -78.12 -25.36 47.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 111.022 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.17 -15.87 58.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.759 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -59.42 125.83 25.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.756 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 56.6 mt -56.37 126.22 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.88 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -70.82 95.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.518 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.756 -176.876 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.458 ' CZ ' HG12 ' A' ' 840' ' ' ILE . 15.5 m-85 . . . . . 0 CA--C 1.522 -0.12 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.26 -41.0 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.418 -165.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -63.31 -42.11 99.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.715 0.293 . . . . 0.0 110.72 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . 0.554 ' HB3' HD21 ' A' ' 836' ' ' LEU . . . -76.95 -40.5 46.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.2 p -65.68 -39.51 91.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.584 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -54.47 -44.94 73.03 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.203 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.8 m -58.79 -54.11 50.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.456 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.693 ' HB ' HG21 ' A' ' 901' ' ' THR . 74.2 mt -60.72 -50.17 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.697 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -55.5 -38.33 69.02 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.607 0.241 . . . . 0.0 111.325 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.6 m -76.74 -50.08 14.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.485 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.589 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 86.3 t -61.07 -32.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.301 -176.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 71.1 m -53.34 -47.58 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.258 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.95 -26.86 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.151 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 89.6 m-20 -67.98 -28.58 67.56 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.473 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.594 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -67.5 -37.02 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.04 0.447 . . . . 0.0 110.382 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -73.71 -28.04 61.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.101 0.476 . . . . 0.0 110.199 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 25.4 t -76.33 -42.74 43.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 31.8 p -80.69 -7.35 59.3 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.708 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.7 ttm -48.02 110.56 0.34 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.41 -32.13 2.88 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.0 t70 -101.31 110.36 22.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.747 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.76 -52.58 59.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.378 -172.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.72 -46.12 76.36 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.271 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 37.9 tt0 -72.11 -35.51 69.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.949 0.375 . . . . 0.0 111.409 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 81.2 mtp -62.67 -49.83 73.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 111.012 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 875' ' ' LYS . 56.1 t -62.73 -34.92 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 821' ' ' GLU . 40.2 ttm180 -55.19 -47.31 75.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.864 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.594 ' HB2' HG13 ' A' ' 812' ' ' ILE . 72.3 mm-40 -64.3 -40.07 95.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.74 93.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.052 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.1 mtt180 -61.9 -36.05 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.319 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.1 mt -66.43 -43.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.237 177.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.634 HD22 HG23 ' A' ' 805' ' ' ILE . 28.0 mt -60.03 -46.22 90.25 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.772 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.94 -48.09 82.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.47 -49.76 76.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.719 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.08 94.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.479 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.549 HG23 ' HG ' ' A' ' 863' ' ' LEU . 87.9 m -64.44 -36.61 84.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.491 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.2 m -60.13 -36.78 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.61 -47.38 85.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.969 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 801' ' ' ALA . 49.7 mt -68.34 -46.2 70.81 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.213 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 833' ' ' THR . 92.0 t -52.23 -44.17 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.409 . . . . 0.0 111.081 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -76.4 -33.01 58.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.036 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -71.38 -50.66 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.458 HG12 ' CZ ' ' A' ' 798' ' ' TYR . 73.5 mt -54.09 -40.83 47.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.405 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.97 -51.78 68.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.9 77.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.23 -35.81 71.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.251 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.02 96.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.805 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.3 -17.14 63.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.702 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.5 -19.44 62.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.083 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.452 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 5.9 tp10 -72.08 145.46 48.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 11.2 t -97.0 36.87 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.907 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . 0.452 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 23.8 t70 -143.71 133.84 24.32 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.026 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.611 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -68.06 -56.09 10.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.486 -178.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -58.68 -45.7 88.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.44 -35.48 81.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.9 t -67.5 -43.49 80.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 79.8 mtp180 -61.11 -40.14 92.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.376 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.38 -45.59 90.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.12 -48.76 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.67 -38.4 78.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.77 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.8 t -68.53 -43.11 77.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.348 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.58 90.23 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.79 99.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 110.601 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.7 -42.6 97.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.749 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.34 -49.25 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.178 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.549 ' HG ' HG23 ' A' ' 833' ' ' THR . 12.1 tp -57.15 -56.87 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.6 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.93 -29.21 55.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.653 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.86 -37.56 19.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.355 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.63 -38.6 75.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 7.6 m -68.12 -47.91 66.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.066 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.32 -47.61 78.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.42 -43.03 95.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.633 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.464 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.6 OUTLIER -59.24 -55.78 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.47 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.484 HG12 ' HE3' ' A' ' 875' ' ' LYS . 53.7 t -57.06 -44.92 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.617 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.67 -38.29 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 0.0 111.102 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.98 -40.07 72.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.543 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.89 97.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.56 ' HA ' HG22 ' A' ' 823' ' ' VAL . 96.7 mttt -54.97 -50.09 69.8 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.4 -41.58 77.11 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.871 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . 0.524 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.01 -26.66 65.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.88 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -79.55 -61.42 2.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.563 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.4 75.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -106.54 82.03 0.94 Allowed Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.75 -51.49 2.37 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.779 2.319 . . . . 0.0 113.578 -167.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.66 -17.49 59.11 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 61.5 m -59.41 123.76 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.352 0.596 . . . . 0.0 112.186 -174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.43 -54.55 22.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.756 -173.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 889' ' ' ARG . 46.6 mt-10 -59.75 -39.69 85.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.351 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . 0.524 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 13.9 mm100 -60.04 -42.95 95.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.8 mm-40 -65.41 -47.82 74.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.536 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -58.95 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.859 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 885' ' ' GLU . 16.0 ptp180 -62.56 -34.34 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.28 -46.25 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.566 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.9 mtt180 -53.01 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -74.01 -40.95 62.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.457 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.25 -41.55 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.134 -179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . 0.464 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -66.73 -43.35 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.945 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 899' ' ' MET . 44.8 mt-10 -67.58 -35.04 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.491 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.37 98.72 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.512 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.472 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -62.14 -39.26 92.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.85 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -62.83 -45.16 93.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.228 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 895' ' ' GLU . 26.4 mmt -60.41 -53.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.838 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.33 84.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.524 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.693 HG21 ' HB ' ' A' ' 805' ' ' ILE . 56.8 m -65.64 -45.54 82.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.467 ' HB2' HD11 ' A' ' 806' ' ' LEU . 64.0 t30 -65.6 -31.11 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.2 0.524 . . . . 0.0 110.18 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.45 61.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.649 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.58 -36.82 74.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.025 0.441 . . . . 0.0 110.125 176.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.357 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -75.3 -37.43 60.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.394 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -82.31 -4.97 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.874 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 -178.829 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.499 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 3.8 m-85 . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.57 -23.99 64.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -167.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -73.91 -48.06 33.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.82 76.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.017 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 11.8 p -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.36 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.04 -40.76 59.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 808' ' ' VAL . 66.1 m -69.3 -48.72 60.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.312 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.73 HD12 HD12 ' A' ' 836' ' ' LEU . 65.5 mt -60.97 -45.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.341 -177.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.8 mm? -55.75 -44.73 77.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.644 0.259 . . . . 0.0 110.51 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . 0.445 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 31.1 m -65.15 -47.14 78.1 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.393 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 804' ' ' THR . 60.1 t -62.63 -35.39 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 110.551 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.44 HG21 ' HB2' ' A' ' 898' ' ' ARG . 95.8 m -58.63 -47.96 82.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 111.145 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 35.9 mt-10 -59.98 -26.51 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.525 ' HB3' HE21 ' A' ' 825' ' ' GLN . 6.3 m-80 -69.89 -23.13 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.798 -175.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.494 ' CG2' HD21 ' A' ' 890' ' ' LEU . 3.0 mp -65.18 -41.99 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.492 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.28 -27.58 65.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.7 m -76.1 -28.35 57.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.313 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 32.1 m -83.83 -3.48 57.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.3 mmt -47.54 124.3 6.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.157 0.503 . . . . 0.0 111.738 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.36 -67.53 0.54 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.782 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -86.02 128.97 34.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.622 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.503 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.44 -53.94 40.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -176.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.41 57.4 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 113.176 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.67 -52.24 64.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 111.254 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.569 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 84.4 mtp -62.99 -45.15 93.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.284 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.581 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 77.3 t -61.18 -41.58 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.459 ' O ' HG13 ' A' ' 828' ' ' ILE . 40.1 ttp180 -59.67 -46.25 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.822 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.525 HE21 ' HB3' ' A' ' 811' ' ' ASN . 10.2 mm100 -62.88 -39.12 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.789 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.85 89.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 18.1 mtp180 -68.54 -38.52 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.212 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 824' ' ' ARG . 72.9 mt -62.63 -41.91 94.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.977 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.9 -45.96 85.65 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.626 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.06 91.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -66.56 -49.04 67.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.36 96.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.281 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.508 HG21 ' OG1' ' A' ' 867' ' ' THR . 80.3 m -66.72 -34.77 78.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 22.6 t -60.7 -40.0 90.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.096 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.11 -42.71 95.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.28 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.73 HD12 HD12 ' A' ' 805' ' ' ILE . 4.5 mt -71.04 -49.07 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.674 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 833' ' ' THR . 85.4 t -53.65 -46.66 61.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 0.0 111.267 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -64.49 -39.02 93.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.919 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -70.05 -43.99 70.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.6 mt -58.97 -48.09 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.715 0.293 . . . . 0.0 110.785 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.04 -40.44 93.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.753 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.44 74.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.156 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.31 -31.39 65.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -64.72 -35.51 81.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.891 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.32 -38.07 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 110.134 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.5 -33.45 64.0 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.29 116.82 3.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.867 0.365 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.3 m -72.99 -23.78 60.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.739 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . 0.442 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 11.9 t70 -75.32 123.77 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.015 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 850' ' ' LEU . 1.3 tm? -68.38 -50.72 51.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.407 -173.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.442 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 8.8 pt-20 -65.42 -37.63 87.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.517 -176.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 49.8 t30 -71.53 -31.2 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.947 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 t -63.07 -49.62 73.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.178 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.391 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.25 -48.99 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.645 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 844' ' ' ALA . 92.7 mt -60.81 -47.95 83.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.909 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.09 -38.43 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 28.7 m -66.3 -38.73 88.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.81 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.44 88.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.873 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.18 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.94 -44.87 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.3 -57.25 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.564 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.64 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.873 0.368 . . . . 0.0 111.441 -174.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -85.38 -34.96 21.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.15 72.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.934 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.508 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.1 m -69.79 -45.68 67.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.789 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.56 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -68.93 -34.42 75.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.381 . . . . 0.0 110.394 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.516 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.8 tpt -63.86 -48.45 76.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.57 176.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 867' ' ' THR . 55.5 t -59.6 -42.56 88.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.109 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.77 -37.85 87.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.324 . . . . 0.0 111.056 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -68.28 -45.36 73.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.57 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.74 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.934 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -54.79 -50.91 67.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.854 0.359 . . . . 0.0 110.763 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.61 -42.49 80.39 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.81 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.61 -30.3 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.989 0.423 . . . . 0.0 111.223 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -81.23 -62.93 1.52 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.77 71.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.266 -174.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -106.99 78.86 0.62 Allowed Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.67 -35.97 26.64 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.535 2.156 . . . . 0.0 112.547 -169.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.55 -6.86 53.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.829 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.55 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 14.5 t -83.86 99.16 10.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.927 0.394 . . . . 0.0 110.407 -177.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.74 -29.76 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.9 OUTLIER -64.42 -40.72 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -64.92 -36.33 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.993 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 883' ' ' SER . 68.2 mm-40 -62.73 -41.54 99.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 110.043 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -65.24 -41.7 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.585 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 89.3 mtt180 -57.81 -43.76 85.92 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.078 0.466 . . . . 0.0 110.272 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 812' ' ' ILE . 58.6 tp -64.21 -41.12 97.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.952 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 80.8 mtp180 -54.1 -52.22 61.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.051 0.453 . . . . 0.0 110.487 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.89 -37.48 79.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.384 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.02 -44.29 73.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.569 0.223 . . . . 0.0 111.283 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.19 93.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.05 -42.75 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.382 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.64 -46.93 90.97 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.401 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.28 -45.14 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.311 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.44 ' HB2' HG21 ' A' ' 809' ' ' THR . 54.1 ttt180 -59.18 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.119 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.18 -45.14 94.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.096 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.28 86.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.05 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.459 HG21 ' CG2' ' A' ' 805' ' ' ILE . 33.4 m -65.59 -46.75 78.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.987 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 36.0 t-20 -60.88 -38.58 86.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.249 0.547 . . . . 0.0 109.761 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -68.54 -43.76 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.812 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.09 70.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -60.64 -37.47 81.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.707 175.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 62.8 mm-40 -74.19 -23.74 59.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.14 -6.52 39.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 177.153 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.636 ' OH ' ' HB3' ' A' ' 843' ' ' ASP . 4.4 m-85 . . . . . 0 CA--C 1.519 -0.245 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -68.83 -34.75 76.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.261 -165.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -72.53 -46.24 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.47 91.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.235 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 15.7 p -62.9 -53.3 56.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.99 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -50.7 -42.95 57.6 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.362 0.414 . . . . 0.0 110.672 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 808' ' ' VAL . 88.3 m -56.75 -53.14 61.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.702 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.876 HD12 HD12 ' A' ' 836' ' ' LEU . 67.2 mt -58.31 -45.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.0 OUTLIER -53.12 -50.37 64.61 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.765 0.317 . . . . 0.0 110.633 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.1 m -64.69 -47.6 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 804' ' ' THR . 99.1 t -59.57 -39.69 80.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 88.7 m -55.13 -48.19 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.23 0.538 . . . . 0.0 111.411 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 37.3 mt-10 -62.01 -25.72 67.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.714 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.33 -25.69 62.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.602 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -64.19 -35.92 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.136 0.493 . . . . 0.0 110.267 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -68.13 -27.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.183 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.8 m -78.18 -26.3 47.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.311 175.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 50.6 m -81.18 -4.56 55.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.8 mmt -49.32 109.76 0.3 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.762 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.03 -25.7 5.46 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.707 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.4 t70 -117.8 106.63 13.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.448 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.33 -48.62 77.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.564 -174.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.01 -47.23 60.37 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 113.203 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.419 ' HG3' ' NH1' ' A' ' 824' ' ' ARG . 36.3 tt0 -68.85 -37.18 78.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.989 0.394 . . . . 0.0 111.489 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 92.2 mtp -58.42 -43.75 88.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.353 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 60.9 t -69.89 -36.17 68.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.445 ' O ' HG13 ' A' ' 828' ' ' ILE . 28.9 ttm180 -55.67 -51.93 65.59 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.602 ' HB2' HG13 ' A' ' 812' ' ' ILE . 14.6 mm100 -63.19 -36.15 82.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.125 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.99 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.853 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.3 mtt180 -61.96 -39.1 90.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.998 0.427 . . . . 0.0 110.266 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 824' ' ' ARG . 62.8 mt -62.36 -41.93 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.355 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.492 HD22 HG23 ' A' ' 805' ' ' ILE . 28.8 mt -60.05 -46.22 90.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.088 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.47 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.86 -37.51 87.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.247 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.69 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.534 HG21 ' OG1' ' A' ' 867' ' ' THR . 86.1 m -62.62 -36.63 83.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 95.2 p -61.47 -47.81 83.99 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.387 0.613 . . . . 0.0 109.858 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . 0.464 ' HA ' ' ND2' ' A' ' 838' ' ' ASN . 28.7 t70 -67.83 -34.28 76.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.875 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.876 HD12 HD12 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -63.45 -46.68 85.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.18 178.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 833' ' ' THR . 84.2 t -56.93 -35.42 47.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 835' ' ' ASP . 57.6 m-20 -59.59 -50.5 73.66 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.921 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 860' ' ' ALA . 69.6 mt -60.28 -51.01 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.813 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.83 -46.31 89.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.976 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.49 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . 0.636 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.7 t70 -78.42 -29.84 47.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.038 0.447 . . . . 0.0 110.071 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.23 85.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.6 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -74.6 -26.35 67.76 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.58 146.99 42.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 22.3 m -101.33 -20.71 15.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -77.95 114.86 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.3 OUTLIER -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.653 -174.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 855' ' ' LYS . 66.3 t30 -66.71 -32.06 73.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.085 0.469 . . . . 0.0 109.924 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.0 m -63.12 -44.2 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.845 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 48.5 mtp180 -63.2 -37.34 86.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 852' ' ' ASN . 22.7 ttmm -54.33 -52.47 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.48 -48.71 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.139 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.66 -48.06 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.562 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 16.3 t -63.14 -38.87 92.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.92 95.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 840' ' ' ILE . . . -63.4 -34.88 78.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.001 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -72.28 -44.16 63.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.8 -44.16 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.167 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 8.0 tp -60.02 -58.08 10.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.446 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -55.91 -31.95 63.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.1 0.476 . . . . 0.0 111.46 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.87 -31.45 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.221 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -62.47 -36.89 83.91 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.534 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.7 m -64.86 -48.72 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.31 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.77 77.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.336 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.08 -36.05 81.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -51.33 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.956 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 867' ' ' THR . 58.9 t -57.9 -46.97 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.31 -39.0 81.65 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -70.89 -44.02 67.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.762 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.13 -47.02 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -56.1 -45.64 79.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.601 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.21 56.17 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.929 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -67.26 -27.71 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -83.73 -66.75 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.038 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.554 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 -174.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -106.42 83.03 1.08 Allowed Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 11.8 Cg_exo -69.51 -29.61 24.77 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.698 2.265 . . . . 0.0 112.146 -172.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.16 -22.55 55.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.386 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -66.46 111.94 3.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.52 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -72.67 -39.97 66.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.968 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.8 OUTLIER -66.28 -33.02 74.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.827 -176.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.8 mm-40 -68.73 -42.48 77.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.579 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.05 -48.67 77.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.578 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.6 mtt180 -57.87 -43.65 86.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.476 ' HA ' ' HB1' ' A' ' 873' ' ' ALA . 52.3 tp -62.49 -46.29 89.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.3 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -56.33 -48.96 75.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.877 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.256 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.89 81.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.13 80.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.105 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.91 -30.78 69.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.27 -43.01 90.0 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -62.85 -44.58 95.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -57.49 -46.84 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.804 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 45.2 ttp -62.33 -46.05 90.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.343 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.5 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 111.303 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 805' ' ' ILE . 22.5 m -65.02 -44.17 90.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.503 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 906' ' ' GLN . 25.6 t-20 -58.6 -38.34 77.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.069 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.52 87.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.032 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.75 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.224 0.535 . . . . 0.0 110.348 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -65.45 -34.91 79.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 902' ' ' ASN . 76.3 mt-30 -76.31 -43.04 43.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.34 -22.6 66.84 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.295 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.58 173.3 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.732 0.301 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.06 -33.09 74.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.83 -50.64 63.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.11 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.541 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.701 HG22 HD11 ' A' ' 836' ' ' LEU . 21.6 p -62.71 -41.94 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -51.67 -41.89 61.72 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.0 m -58.56 -51.07 71.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 836' ' ' LEU . 43.5 mt -66.05 -50.85 66.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.763 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.6 mm? -52.98 -41.21 64.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 88.6 m -71.05 -52.81 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.675 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.467 HG11 ' HB ' ' A' ' 828' ' ' ILE . 87.8 t -63.96 -36.2 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.629 HG21 ' HB2' ' A' ' 898' ' ' ARG . 98.3 m -55.2 -54.11 47.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 807' ' ' THR . 11.4 pt-20 -62.28 -25.33 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.845 0.355 . . . . 0.0 110.679 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -67.54 -21.52 65.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.713 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.58 -33.07 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.26 0.552 . . . . 0.0 109.963 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -75.57 -27.37 58.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.691 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.3 m -76.62 -37.73 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.8 p -82.84 -4.57 58.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.355 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.535 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -51.94 107.73 0.22 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.608 0.568 . . . . 0.0 110.824 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.11 -30.4 3.06 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -98.97 114.04 26.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.568 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -52.2 59.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.871 -173.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.25 97.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.401 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 31.1 tt0 -73.33 -38.16 65.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.72 -0.283 . . . . 0.0 111.651 -174.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.535 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 86.6 mtp -60.14 -44.25 95.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 875' ' ' LYS . 59.9 t -65.54 -39.06 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.952 0.406 . . . . 0.0 110.2 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 824' ' ' ARG . 21.4 ttt180 -58.57 -45.85 88.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.833 176.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 14.4 mm100 -60.15 -38.93 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.3 86.24 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 98.4 mtt180 -61.06 -39.64 90.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.467 ' HB ' HG11 ' A' ' 808' ' ' VAL . 53.8 mt -64.91 -43.14 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.089 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.42 HD22 HG23 ' A' ' 805' ' ' ILE . 67.6 mt -60.97 -41.91 97.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.73 -50.25 72.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.686 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.23 -49.88 73.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.51 91.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.373 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.563 ' HA ' HD11 ' A' ' 805' ' ' ILE . 97.0 m -63.53 -37.5 87.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.531 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 25.0 m -61.62 -48.6 80.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.058 0.456 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.83 -42.73 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.865 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 805' ' ' ILE . 0.6 OUTLIER -63.52 -53.06 57.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.683 -178.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 864' ' ' ALA . 79.7 t -56.85 -44.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.8 -36.78 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.736 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.48 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.903 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.3 mt -63.85 -49.86 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 67.7 mttm -55.19 -43.31 74.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.885 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.63 96.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.343 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -78.06 -27.59 48.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 110.723 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.95 -23.75 66.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 110.368 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 13.4 mm-40 -71.75 -21.24 61.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.855 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -80.72 -9.05 86.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.84 131.23 42.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 0.0 110.2 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 38.9 m -91.06 -11.65 38.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -80.41 111.32 16.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.76 -42.6 93.62 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.209 0.318 . . . . 0.0 111.584 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.68 -38.61 83.95 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 121.065 0.459 . . . . 0.0 110.041 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -72.32 -33.88 67.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.188 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 47.3 m -61.28 -51.5 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.078 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -67.56 -25.52 65.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.748 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -63.42 -51.69 64.7 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 109.996 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 87.0 mt -61.16 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.379 176.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.6 mt -61.71 -36.96 82.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.132 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 66.6 m -65.2 -43.78 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.397 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.87 88.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.698 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -65.46 -41.46 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.096 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -68.32 -41.15 81.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.68 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.04 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.124 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.55 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -60.0 -57.81 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.743 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.727 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.11 -26.71 50.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.254 0.55 . . . . 0.0 111.374 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.1 -35.0 22.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.697 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.73 72.99 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.464 ' OG1' HG21 ' A' ' 833' ' ' THR . 6.2 m -68.6 -41.39 79.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.244 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.98 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.671 0.272 . . . . 0.0 110.494 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 893' ' ' ALA . 24.7 ttmm -57.89 -47.16 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.439 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.3 tpt -54.44 -55.14 31.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.293 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.9 t -57.9 -49.28 81.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.426 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.62 -45.91 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 111.228 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.64 83.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.98 -46.76 87.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.661 ' HA ' HG22 ' A' ' 823' ' ' VAL . 54.3 mtpt -59.59 -37.99 80.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 111.231 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -75.76 -44.95 18.56 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.694 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.39 -31.46 70.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -72.28 -63.84 1.07 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.376 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.497 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -55.83 -41.09 73.74 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.537 0.523 . . . . 0.0 111.55 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.35 88.96 3.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.9 Cg_exo -57.61 -44.14 44.34 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.866 2.378 . . . . 0.0 112.997 -170.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -76.99 -2.54 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -173.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 81.3 p -71.54 92.16 1.11 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.594 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.79 -28.53 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.76 -47.04 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -67.48 -34.65 77.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 883' ' ' SER . 81.4 mm-40 -60.84 -45.47 94.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.437 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -69.76 -39.3 76.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.507 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -60.75 -39.61 89.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.267 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.05 -39.25 93.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -65.8 -25.28 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.311 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -80.87 -47.57 13.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.532 . . . . 0.0 110.472 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 869' ' ' LYS . . . -67.25 -51.65 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.346 -174.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 0.0 111.301 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.11 -35.6 74.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.727 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.26 97.04 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.361 173.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.37 -46.15 89.92 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.629 ' HB2' HG21 ' A' ' 809' ' ' THR . 63.5 ttp85 -60.21 -47.94 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.637 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -61.11 -48.83 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.442 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.91 87.97 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.575 HG21 ' HB ' ' A' ' 805' ' ' ILE . 64.0 m -63.65 -49.17 74.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.169 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.73 -40.46 88.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 0.0 109.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -62.73 -48.98 76.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.58 75.74 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -56.88 -53.43 57.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.121 177.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -78.93 -23.05 44.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.826 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 8.3 t-20 -69.08 -15.86 63.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.027 0.441 . . . . 0.0 110.466 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.671 -179.293 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.46 ' OH ' ' HB2' ' A' ' 843' ' ' ASP . 26.6 m-85 . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.44 -41.81 84.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.99 -46.22 71.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.515 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.836 HG21 ' HB2' ' A' ' 905' ' ' ALA . 43.1 p -69.21 -37.23 77.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.193 -178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.64 -45.23 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.022 0.439 . . . . 0.0 110.054 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 808' ' ' VAL . 30.0 m -61.36 -55.41 31.92 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.632 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.7 HG23 HD22 ' A' ' 829' ' ' LEU . 88.0 mt -56.0 -51.29 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.395 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.4 mp -52.1 -48.74 64.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -70.44 -42.99 70.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.47 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.482 ' O ' HD12 ' A' ' 812' ' ' ILE . 93.2 t -65.14 -36.69 78.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 122.211 -0.306 . . . . 0.0 110.619 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.577 ' HA ' HD13 ' A' ' 812' ' ' ILE . 81.5 m -56.01 -54.65 42.34 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.778 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.23 -25.58 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 0.0 109.897 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.6 -20.82 61.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.905 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 809' ' ' THR . 1.7 mp -58.19 -42.97 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.5 -34.85 78.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.3 m -73.42 -30.32 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.2 m -83.4 -3.59 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.661 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.579 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 82.6 mtp -58.55 103.83 0.18 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.303 0.573 . . . . 0.0 111.359 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.12 -46.95 0.45 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.0 t70 -99.0 117.35 33.32 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.447 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.91 -54.54 33.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.445 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.22 -38.58 78.27 Favored Glycine 0 CA--C 1.521 0.443 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.958 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 35.1 tt0 -69.2 -33.96 74.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -178.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 77.3 mtp -66.0 -40.97 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.514 176.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 875' ' ' LYS . 59.4 t -68.08 -33.89 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.187 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.432 ' O ' HG13 ' A' ' 828' ' ' ILE . 51.6 ttp180 -53.25 -48.11 68.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.33 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.5 -42.89 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.368 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.0 84.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.049 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 88.6 mtt180 -64.12 -38.37 90.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.469 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 824' ' ' ARG . 66.6 mt -63.56 -46.38 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.7 HD22 HG23 ' A' ' 805' ' ' ILE . 79.7 mt -61.53 -43.97 97.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.167 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.72 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.772 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -67.2 -49.41 64.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.12 97.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.588 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 837' ' ' VAL . 98.7 m -62.24 -32.41 73.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.02 0.438 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.1 m -61.07 -38.0 84.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.085 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.81 -40.48 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 110.419 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 49.3 mt -64.34 -45.45 87.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 833' ' ' THR . 88.3 t -55.61 -40.96 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.71 0.291 . . . . 0.0 110.695 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.28 -45.7 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.194 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.65 -52.42 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.9 -42.08 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.535 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.89 -41.37 95.92 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.897 0.379 . . . . 0.0 110.935 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.52 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.077 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . 0.514 ' HB3' HD13 ' A' ' 856' ' ' LEU . 4.8 t70 -62.67 -40.98 98.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . 0.478 ' HB2' ' HB2' ' A' ' 856' ' ' LEU . . . -64.07 -22.74 67.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.582 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.52 -26.08 38.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -121.63 25.74 6.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.483 -173.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 179.3 3.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.267 0.556 . . . . 0.0 111.627 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 17.7 m -128.9 23.31 5.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.003 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.68 130.9 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.162 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -41.68 85.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.733 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.37 -39.49 93.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -58.36 -43.8 88.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.343 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 6.2 t -61.55 -42.42 98.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 854' ' ' ARG . 58.6 mtt180 -68.61 -46.33 69.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.14 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -56.45 -50.44 71.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.253 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 843' ' ' ASP . 56.2 mt -62.27 -49.8 74.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.376 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.62 -30.16 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.204 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 m -73.24 -46.11 52.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.37 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.39 97.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.257 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -65.55 -49.67 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.81 -44.78 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.35 -58.13 9.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.362 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.99 -25.64 58.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.199 0.523 . . . . 0.0 111.028 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -85.2 -43.57 13.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.682 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.31 -34.73 69.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 109.841 175.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 871' ' ' VAL . 8.3 m -66.16 -54.69 22.26 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.868 176.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.2 76.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -63.61 -41.39 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.472 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 6.0 ptm -80.44 -26.82 38.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.831 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 867' ' ' THR . 55.7 t -64.98 -50.07 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.63 -34.03 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.076 0.465 . . . . 0.0 110.708 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -66.96 -45.27 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.68 83.0 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 823' ' ' VAL . 9.0 mtpm? -57.55 -44.38 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.9 -42.2 79.31 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.716 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -71.12 -29.3 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.243 0.544 . . . . 0.0 111.062 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.447 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -76.45 -60.92 2.13 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.563 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -61.15 -33.69 73.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 -176.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.98 84.5 1.6 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.3 Cg_exo -69.11 -36.82 11.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.957 2.438 . . . . 0.0 112.386 -172.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -77.32 -28.91 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.628 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 36.4 m -65.89 103.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.286 -176.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.34 -25.07 62.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.325 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.88 -38.22 87.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.267 0.556 . . . . 0.0 109.626 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 16.0 mm100 -69.57 -37.92 77.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.2 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 883' ' ' SER . 61.9 mm-40 -64.93 -41.23 95.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.011 177.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.0 -51.59 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.998 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.229 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 812' ' ' ILE . 47.2 tp -59.68 -54.02 51.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.951 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 895' ' ' GLU . 49.7 mtm180 -58.04 -45.07 87.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.245 0.341 . . . . 0.0 111.195 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.73 -48.51 78.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.116 0.484 . . . . 0.0 111.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.7 -41.01 61.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -174.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.91 92.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.648 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 44.0 mt-10 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.807 0.337 . . . . 0.0 110.436 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.24 -33.75 74.01 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.56 -0.828 . . . . 0.0 111.905 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.404 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.4 tm? -66.44 -41.61 88.87 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -57.36 -44.84 84.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.662 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -52.47 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.312 175.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.14 77.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.005 0.431 . . . . 0.0 111.446 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.52 HG21 ' HB ' ' A' ' 805' ' ' ILE . 35.2 m -65.4 -49.97 67.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 36.1 t-20 -60.23 -41.64 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.52 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -57.81 -35.88 71.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.836 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -58.13 -45.24 87.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.069 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.44 -31.94 62.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.753 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -66.42 -30.47 70.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 179.358 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--O 1.225 -0.206 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.14 -27.68 67.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -166.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -72.52 -45.68 58.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.305 0.574 . . . . 0.0 109.882 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . 0.562 ' HB3' HD21 ' A' ' 836' ' ' LEU . . . -73.6 -38.89 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.245 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 32.4 p -63.98 -48.36 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.841 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.87 -35.22 66.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.972 0.415 . . . . 0.0 110.071 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 808' ' ' VAL . 47.9 m -59.67 -54.33 47.63 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.126 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.686 HD12 HD12 ' A' ' 836' ' ' LEU . 68.1 mt -58.5 -48.93 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.012 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.454 HD12 ' HG3' ' A' ' 898' ' ' ARG . 1.3 mm? -53.14 -47.63 68.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 38.8 m -68.19 -39.86 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.669 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 804' ' ' THR . 85.3 t -66.11 -40.03 86.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.101 177.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.422 HG21 ' HB2' ' A' ' 898' ' ' ARG . 97.0 m -55.54 -55.23 34.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.886 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.96 -25.74 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -71.43 -21.57 61.96 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.417 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.1 mp -60.7 -39.19 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.29 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -70.44 -27.73 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.4 t -78.17 -25.43 47.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 109.702 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.2 m -83.11 -3.32 57.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.078 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 12.3 mmt -51.44 105.94 0.12 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.07 -30.27 3.55 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.64 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.48 104.15 14.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.557 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.89 -50.82 67.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.494 -173.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.77 79.05 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.891 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.3 -45.88 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.988 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.598 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 87.3 mtp -59.18 -40.0 84.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.7 -36.04 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.687 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 828' ' ' ILE . 22.6 ttp180 -69.51 -47.7 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.347 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.306 0.379 . . . . 0.0 110.891 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.96 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 827' ' ' ARG . 50.7 mtm180 -72.16 -27.5 62.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.5 mt -69.5 -40.35 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.536 HD22 HG23 ' A' ' 805' ' ' ILE . 59.3 mt -59.49 -48.19 82.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.341 174.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.537 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -55.68 -42.29 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -63.36 -50.9 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.998 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.87 -45.18 87.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.344 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.664 HG23 ' HG ' ' A' ' 863' ' ' LEU . 19.6 m -56.46 -38.87 72.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.3 m -65.48 -33.42 75.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.77 -37.33 73.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 110.087 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.686 HD12 HD12 ' A' ' 805' ' ' ILE . 12.5 mt -70.95 -39.19 72.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.51 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 833' ' ' THR . 74.4 t -55.57 -42.68 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 110.362 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -67.83 -49.17 63.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.494 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.35 -51.73 68.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.884 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.14 -42.65 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.934 0.397 . . . . 0.0 110.709 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 40.7 ttmt -62.17 -44.42 96.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.725 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.262 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.43 -34.23 70.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 0.0 109.843 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.643 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 28.1 mm-40 -66.43 -26.07 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -85.06 -15.64 66.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.299 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 7.8 tp10 -79.83 131.18 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.422 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 21.0 t -86.92 -13.24 45.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.145 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . 0.423 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 14.9 t70 -86.82 118.47 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -41.12 87.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.254 -175.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.58 -47.55 85.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.469 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -66.34 -40.42 89.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.987 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.432 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 13.4 p -68.31 -37.76 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.383 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -66.27 -35.73 81.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.39 -41.41 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.073 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.78 -47.57 77.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 853' ' ' SER . 82.8 mt -59.96 -46.12 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.554 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.419 ' O ' HG13 ' A' ' 862' ' ' ILE . 23.1 p -66.72 -41.37 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.99 89.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.79 0.329 . . . . 0.0 110.965 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.94 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.46 -42.11 75.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.606 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 858' ' ' SER . 75.0 mt -59.66 -46.51 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.032 175.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' A' ' 833' ' ' THR . 12.0 tp -56.06 -53.1 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.348 177.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.51 59.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.602 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -85.1 -42.41 14.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.349 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.92 64.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.135 0.493 . . . . 0.0 110.166 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 830' ' ' ALA . 24.8 m -72.49 -45.87 57.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.918 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 872' ' ' GLU . . . -57.22 -47.28 81.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.458 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.0 -46.01 89.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.208 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 12.6 tpt -57.82 -50.24 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.345 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.21 -49.28 85.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.558 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 868' ' ' ALA . 77.7 mt-10 -60.83 -34.93 75.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.44 . . . . 0.0 110.791 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -70.94 -46.95 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.58 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -56.77 -43.93 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -76.02 -39.81 31.74 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.83 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 111.183 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -83.96 -64.89 1.08 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.111 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.53 73.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -107.64 82.81 1.42 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.84 -25.25 53.12 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.65 2.233 . . . . 0.0 112.853 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.8 -25.76 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.685 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.527 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -67.01 99.15 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.763 -174.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.17 -37.41 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.717 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 36.3 mm-40 -63.46 -38.92 93.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.26 -35.09 79.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.559 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 71.2 mm-40 -60.91 -48.43 81.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 892' ' ' GLU . 55.5 tp60 -64.05 -42.3 97.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.3 mtt180 -56.32 -40.19 73.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.303 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.573 ' HA ' ' HB1' ' A' ' 873' ' ' ALA . 57.4 tp -68.87 -39.54 79.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.071 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.5 mtp180 -57.57 -56.27 24.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.737 0.304 . . . . 0.0 110.954 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 888' ' ' GLN . 7.7 pt-20 -67.59 -32.31 72.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.417 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.86 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.02 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.22 -38.37 90.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.322 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.23 -43.63 88.5 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.741 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -45.32 94.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 109.986 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.454 ' HG3' HD12 ' A' ' 806' ' ' LEU . 61.2 ttp180 -58.77 -49.25 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.365 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 49.2 ttm -60.62 -47.35 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.213 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.52 88.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.978 0.418 . . . . 0.0 110.888 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.546 HG21 ' HB ' ' A' ' 805' ' ' ILE . 26.5 m -67.39 -43.3 81.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.91 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 24.7 t-20 -60.89 -39.85 90.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.373 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.92 -45.14 83.0 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.698 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.4 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -60.85 -43.66 98.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 175.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -75.66 -25.07 56.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.36 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -79.65 -6.7 57.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.596 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 179.08 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 908' ' ' ALA . 88.3 m-85 . . . . . 0 N--CA 1.464 0.247 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.49 -31.87 72.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.009 0.368 . . . . 0.0 111.362 -172.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -68.97 -38.25 79.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.942 0.401 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.77 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.198 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.873 HG21 ' HB2' ' A' ' 905' ' ' ALA . 43.7 p -67.11 -36.26 81.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.315 -176.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -50.18 -43.97 52.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 111.204 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 808' ' ' VAL . 61.1 m -62.12 -51.3 68.47 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.639 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.871 HD12 HD12 ' A' ' 836' ' ' LEU . 69.2 mt -63.56 -49.06 84.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.919 -176.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 902' ' ' ASN . 1.1 mm? -52.46 -44.82 65.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.9 m -74.92 -46.66 34.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -176.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 70.8 t -60.44 -33.94 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.581 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 898' ' ' ARG . 55.3 m -53.82 -52.0 61.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.021 0.439 . . . . 0.0 111.205 176.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -64.51 -25.25 67.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 94.4 m-20 -64.62 -24.13 67.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.716 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.33 -36.67 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . 0.419 ' HZ ' ' HB3' ' A' ' 894' ' ' ALA . 98.8 m-85 -73.24 -33.54 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 35.8 t -71.71 -36.81 70.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.272 0.558 . . . . 0.0 110.2 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.4 m -83.58 -2.85 56.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.584 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.3 ttm -54.49 114.58 1.72 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.226 0.536 . . . . 0.0 111.239 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.89 -27.71 3.82 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.231 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -104.23 117.64 34.73 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.731 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.95 -58.61 6.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.771 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.4 62.99 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 113.457 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -66.8 -47.31 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.771 0.285 . . . . 0.0 111.038 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.0 mtp -59.29 -42.97 92.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.051 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 875' ' ' LYS . 88.0 t -65.63 -40.79 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 178.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.455 ' O ' HG13 ' A' ' 828' ' ' ILE . 8.9 tpt180 -60.81 -45.49 94.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.433 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.7 -40.64 97.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.06 83.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.147 0.499 . . . . 0.0 110.956 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 80.0 mtp180 -68.96 -35.49 76.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.484 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.8 mt -65.1 -38.24 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.906 175.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.43 HD22 HG23 ' A' ' 805' ' ' ILE . 37.9 mt -59.17 -47.55 84.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.78 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -61.13 -50.33 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.553 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.52 94.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.456 HG21 ' OG1' ' A' ' 867' ' ' THR . 89.0 m -62.6 -35.53 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.57 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 24.2 t -63.6 -48.9 75.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.053 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.58 -32.57 73.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -67.34 -51.13 56.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.59 176.136 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' A' ' 864' ' ' ALA . 71.1 t -56.54 -42.2 75.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.912 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.171 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.45 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.39 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 836' ' ' LEU . 83.8 mt -58.35 -51.98 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.94 -42.72 94.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.434 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.9 85.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.972 -177.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.69 -34.54 60.42 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.69 87.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.286 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.97 -23.88 62.3 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.829 0.347 . . . . 0.0 110.21 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -79.25 -24.76 60.62 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.59 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.11 135.61 52.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 63.1 m -85.62 -18.81 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.031 0.443 . . . . 0.0 110.624 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 851' ' ' GLU . 4.7 t70 -86.83 102.46 14.32 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -33.98 69.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -175.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.406 ' HB2' ' OD2' ' A' ' 849' ' ' ASP . 2.0 mp0 -58.58 -51.74 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.432 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -65.04 -37.59 88.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.137 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 56.9 m -57.2 -48.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 854' ' ' ARG . 62.4 mtt180 -62.03 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.074 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.3 -45.1 88.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.499 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.07 -49.78 70.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.643 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.2 mt -56.13 -40.49 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 39.0 m -67.81 -39.64 83.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.37 -31.46 72.63 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.627 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.37 -43.94 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 11.2 tmtt? -64.55 -43.06 95.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.648 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.58 -48.69 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.08 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.536 ' HA ' ' HB1' ' A' ' 900' ' ' ALA . 7.2 tp -63.24 -57.89 8.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.7 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.644 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -57.1 -23.6 48.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.301 0.572 . . . . 0.0 111.078 -176.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.7 OUTLIER -80.36 -35.77 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.41 -177.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.92 67.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.456 ' OG1' HG21 ' A' ' 833' ' ' THR . 3.0 m -66.04 -44.19 85.34 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.192 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.19 80.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.71 0.291 . . . . 0.0 111.124 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -67.04 -43.99 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.449 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.62 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.5 tpt -57.56 -50.0 74.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.085 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 52.8 t -60.75 -48.66 87.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.249 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.32 -37.45 87.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 111.431 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.9 -48.43 68.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.466 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.37 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.652 ' HA ' HG22 ' A' ' 823' ' ' VAL . 53.3 mtpt -56.92 -48.86 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.289 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -73.28 -40.33 49.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.834 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . 0.451 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.88 -25.86 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.06 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -78.16 -58.06 3.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.547 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.546 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.69 -36.91 72.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.063 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -106.71 82.75 1.09 Allowed Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.546 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.4 Cg_exo -63.96 -51.16 2.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.096 2.531 . . . . 0.0 113.56 -166.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.53 -8.06 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.094 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 47.6 m -70.99 104.58 3.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.449 . . . . 0.0 111.218 -177.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.5 -28.81 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.072 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.522 ' H ' ' CD ' ' A' ' 885' ' ' GLU . 14.0 mp0 -60.94 -40.09 91.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.263 0.554 . . . . 0.0 109.779 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . 0.451 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 15.1 mm100 -73.13 -38.79 66.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.917 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.0 mm-40 -64.14 -37.37 87.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.842 0.353 . . . . 0.0 110.164 178.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.75 -49.02 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.92 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -64.93 -43.63 92.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.94 -41.54 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.409 ' HD2' HH11 ' A' ' 891' ' ' ARG . 38.5 mtm180 -58.63 -38.2 77.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.54 0.21 . . . . 0.0 111.277 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.71 -47.84 36.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.854 0.359 . . . . 0.0 110.645 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -59.9 -44.31 94.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.82 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . 0.419 ' HB3' ' HZ ' ' A' ' 813' ' ' PHE . . . -68.08 -46.91 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.398 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -64.09 -33.44 75.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.678 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.65 -47.27 69.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.802 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.3 -44.48 97.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.243 0.544 . . . . 0.0 109.617 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.425 ' HB2' HG21 ' A' ' 809' ' ' THR . 77.4 ttt180 -53.88 -47.85 70.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.271 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.5 ttp -65.9 -48.94 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.997 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -58.95 -40.23 84.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.82 0.343 . . . . 0.0 111.247 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.556 HG21 ' HB ' ' A' ' 805' ' ' ILE . 79.8 m -65.34 -54.5 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 177.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.646 ' HB2' HD11 ' A' ' 806' ' ' LEU . 56.7 t30 -61.68 -35.12 77.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.704 -177.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.17 83.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.8 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.36 0.6 . . . . 0.0 109.472 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.873 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -68.4 -26.72 65.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.065 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 28.8 mm-40 -77.13 -25.1 51.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.107 0.479 . . . . 0.0 110.363 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -77.65 -5.25 49.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.477 ' HA ' ' CD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--O 1.234 0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.353 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.426 ' HD2' ' HB2' ' A' ' 908' ' ' ALA . 32.4 m-85 . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 121.584 0.707 . . . . 0.0 109.103 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.22 -35.15 77.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.486 -166.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . 0.848 HE21 ' HA ' ' A' ' 800' ' ' GLN . 0.0 OUTLIER -68.9 -43.24 75.65 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.29 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.44 74.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.88 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.5 p -66.03 -38.9 89.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.752 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -56.89 -46.15 82.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 808' ' ' VAL . 31.8 m -60.3 -56.11 25.47 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.645 ' HB ' HG21 ' A' ' 901' ' ' THR . 84.3 mt -57.61 -49.27 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.203 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.37 -42.85 74.52 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 33.3 m -74.81 -39.84 61.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.584 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 804' ' ' THR . 80.5 t -67.92 -37.79 78.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.253 -0.28 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.945 HG21 ' HB2' ' A' ' 898' ' ' ARG . 87.3 m -52.96 -52.99 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.39 -24.67 67.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.124 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 93.7 m-20 -67.34 -28.62 68.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.043 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.478 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.6 mp -57.88 -38.29 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 110.432 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -72.81 -28.61 62.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 15.3 m -78.35 -36.81 45.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.154 0.502 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 55.0 m -82.32 -3.54 55.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.165 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.623 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -56.46 111.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.3 0.571 . . . . 0.0 110.347 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 134.47 -30.78 2.85 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.982 -174.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -108.18 116.33 31.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.812 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.26 -51.72 62.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.3 -173.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -50.72 -53.76 24.41 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.76 -0.654 . . . . 0.0 113.471 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 39.3 tt0 -69.57 -35.34 75.28 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.134 0.467 . . . . 0.0 111.657 -176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.2 mtp -60.48 -45.63 93.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.897 0.379 . . . . 0.0 110.573 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.609 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.5 t -65.71 -40.01 86.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.948 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.473 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.3 ttm180 -53.56 -50.38 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 81.4 mm-40 -61.54 -46.36 90.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.64 -39.76 77.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.823 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 43.1 mtm180 -62.43 -39.26 92.74 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.77 0.319 . . . . 0.0 110.317 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 824' ' ' ARG . 70.2 mt -61.75 -42.0 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.924 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.564 HD22 HG23 ' A' ' 805' ' ' ILE . 83.2 mt -61.48 -49.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.874 177.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.29 72.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.023 0.439 . . . . 0.0 110.666 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.48 -49.09 62.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.87 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.43 92.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.395 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.621 HG23 ' HG ' ' A' ' 863' ' ' LEU . 26.0 m -58.95 -39.91 83.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.32 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 74.4 m -61.18 -35.43 77.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.551 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.47 -48.02 79.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.428 HD12 HD12 ' A' ' 805' ' ' ILE . 16.6 mt -64.85 -44.23 90.45 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.877 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 833' ' ' THR . 71.0 t -53.34 -49.21 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.639 0.257 . . . . 0.0 111.008 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -67.34 -44.73 78.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.849 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.32 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.431 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.32 -46.43 94.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.348 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 56.8 mttm -58.75 -49.52 77.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 111.218 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . 0.539 ' HA ' ' OE1' ' A' ' 845' ' ' GLU . . . -69.11 -34.84 75.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.334 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.932 0.396 . . . . 0.0 110.434 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.08 -23.46 67.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.998 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . 0.539 ' OE1' ' HA ' ' A' ' 842' ' ' ALA . 44.3 mt-10 -72.22 -24.99 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.278 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -95.55 -26.7 11.52 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.3 126.31 27.15 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.0 m -84.16 -30.69 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 111.245 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.75 101.45 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.81 -39.06 73.45 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.359 0.412 . . . . 0.0 111.952 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.4 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.945 0.403 . . . . 0.0 110.12 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.452 ' HA ' ' HE2' ' A' ' 855' ' ' LYS . 58.0 t30 -70.78 -36.36 73.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.731 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 m -58.8 -50.06 75.37 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.117 0.484 . . . . 0.0 110.092 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.69 -45.76 92.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.677 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 852' ' ' ASN . 37.5 ttpt -57.34 -42.01 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.834 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.08 -53.01 62.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.705 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.22 -44.75 94.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.2 m -61.5 -41.79 97.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.54 79.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.15 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . 0.472 ' O ' ' HD2' ' A' ' 861' ' ' LYS . 0.3 OUTLIER -66.25 -45.17 81.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.771 178.822 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.8 -47.24 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.331 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.621 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -58.21 -56.49 21.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.356 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.81 -30.68 61.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.435 -176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.14 -39.65 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.701 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.82 71.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.253 0.549 . . . . 0.0 109.631 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.444 ' OG1' HG21 ' A' ' 833' ' ' THR . 24.0 m -67.32 -49.55 63.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.841 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.16 -50.18 71.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.4 -45.26 94.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.666 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 13.2 ttt -64.86 -49.46 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.635 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 50.2 t -54.88 -48.09 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.215 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.444 ' HA ' ' HE3' ' A' ' 875' ' ' LYS . 33.3 mt-10 -64.85 -40.67 95.54 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.745 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.06 88.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.709 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.56 89.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.698 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 823' ' ' VAL . 10.1 mtmp? -59.27 -43.78 92.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.943 0.401 . . . . 0.0 110.628 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.42 -42.65 64.18 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.443 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -66.36 -31.69 72.62 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.153 0.501 . . . . 0.0 110.988 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -70.96 -58.99 3.04 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.602 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.541 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -68.35 -28.53 67.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.605 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -104.86 87.22 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 25.4 Cg_exo -61.58 -54.35 1.72 Allowed 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.104 2.536 . . . . 0.0 113.207 -166.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.01 -17.42 59.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.966 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.6 t -57.86 102.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 111.696 -171.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.115 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.93 -50.16 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.156 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . 0.575 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 14.2 mm100 -58.22 -44.19 88.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.782 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 72.3 mm-40 -62.82 -47.57 82.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.384 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.176 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -59.94 -45.09 93.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.425 177.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.478 HD21 ' CG2' ' A' ' 812' ' ' ILE . 59.8 tp -65.72 -40.79 92.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.475 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 71.3 mtt180 -53.13 -49.05 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.571 -178.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.22 -32.19 38.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.723 0.297 . . . . 0.0 111.098 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.06 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . 0.666 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -63.84 -40.2 96.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.094 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.8 -36.2 79.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -65.8 -42.05 95.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.282 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.89 -49.66 71.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 110.491 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.945 ' HB2' HG21 ' A' ' 809' ' ' THR . 12.8 ttp180 -61.03 -41.49 96.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 51.7 ttm -67.33 -42.7 83.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.645 HG21 ' HB ' ' A' ' 805' ' ' ILE . 37.0 m -67.08 -41.45 86.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.15 -33.09 72.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.972 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 906' ' ' GLN . . . -65.78 -44.28 86.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.658 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.36 73.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.115 0.483 . . . . 0.0 110.293 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.32 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.233 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 903' ' ' ALA . 3.4 pt20 -74.26 -21.86 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.271 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -77.43 -6.19 52.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.398 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.58 176.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 4.3 m-85 . . . . . 0 CA--C 1.517 -0.311 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.37 -39.31 89.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.136 -166.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -64.27 -50.19 68.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.79 0.328 . . . . 0.0 111.041 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -74.24 -36.53 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.662 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 17.7 p -64.1 -42.62 96.83 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.592 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.58 -43.28 71.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.159 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 808' ' ' VAL . 31.2 m -57.1 -53.0 63.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.725 HG23 HD22 ' A' ' 829' ' ' LEU . 68.9 mt -62.71 -49.98 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.581 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -53.86 -42.48 68.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.588 0.233 . . . . 0.0 111.41 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 50.3 m -71.25 -50.52 31.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.303 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 804' ' ' THR . 90.2 t -60.61 -36.0 67.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.34 -176.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 99.8 m -54.76 -45.26 74.19 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.473 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 5.0 mm-40 -63.13 -25.72 68.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.954 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.578 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.458 HG13 ' CB ' ' A' ' 825' ' ' GLN . 3.7 mp -67.21 -44.66 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.564 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.44 -31.07 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 23.2 t -72.63 -39.68 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.172 0.51 . . . . 0.0 110.088 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -83.16 -5.98 59.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.622 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 48.1 ttm -54.01 121.38 7.93 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 128.69 -22.28 5.22 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -174.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.79 116.11 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.585 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.42 -50.72 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.955 -173.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.6 94.02 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.255 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.408 ' OE1' ' HD2' ' A' ' 824' ' ' ARG . 7.6 tp10 -67.54 -44.25 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 111.588 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 85.1 mtp -60.57 -39.93 89.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.674 -175.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 875' ' ' LYS . 69.2 t -66.67 -37.3 79.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.44 178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.408 ' HD2' ' OE1' ' A' ' 821' ' ' GLU . 41.2 ttm180 -61.25 -46.31 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.692 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.458 ' CB ' HG13 ' A' ' 812' ' ' ILE . 15.0 mm100 -59.18 -40.06 84.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.182 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -64.7 -37.82 88.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.028 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -61.98 -36.8 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.92 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.11 -43.65 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.465 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.725 HD22 HG23 ' A' ' 805' ' ' ILE . 47.6 mt -61.36 -45.87 92.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.737 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -56.67 -40.08 74.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.42 -49.22 67.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.563 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.01 91.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.894 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.678 HG23 ' HG ' ' A' ' 863' ' ' LEU . 46.4 m -58.56 -36.44 73.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.242 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.0 m -59.71 -35.98 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.134 -175.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.83 -39.07 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 798' ' ' TYR . 13.3 mt -65.66 -41.6 92.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 833' ' ' THR . 93.8 t -53.38 -40.89 42.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -74.21 -43.53 56.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.923 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.87 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.558 ' HA ' ' CE1' ' A' ' 798' ' ' TYR . 75.8 mt -59.57 -44.87 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 64.1 mttm -58.93 -46.53 87.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.993 0.425 . . . . 0.0 110.823 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.553 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -74.4 -30.29 61.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.789 0.328 . . . . 0.0 110.362 -178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.32 80.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 175.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.6 mt-10 -75.16 -15.94 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -90.57 -7.19 67.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.575 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -83.91 140.89 31.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.318 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 23.3 t -90.72 -19.67 23.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.246 0.546 . . . . 0.0 110.185 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 108.08 20.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.85 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 853' ' ' SER . 4.7 mp -63.0 -29.5 70.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -178.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.22 -39.61 79.51 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.445 0.64 . . . . 0.0 109.528 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -80.29 -42.42 23.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.725 176.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 850' ' ' LEU . 47.3 m -55.6 -49.5 72.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.192 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -68.59 -29.13 67.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.695 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.98 -36.96 75.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.936 177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' A' ' 907' ' ' ASN . 92.8 mt -68.33 -47.82 66.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.345 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.06 -49.31 76.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.271 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 862' ' ' ILE . 18.8 p -63.11 -39.33 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.15 93.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.99 98.69 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -67.74 -39.03 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.676 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 858' ' ' SER . 84.5 mt -63.65 -47.01 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.994 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.678 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.1 tp -56.35 -57.42 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.801 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -53.51 -35.29 60.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -83.8 -38.5 21.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.743 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.51 67.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.415 ' OG1' HG21 ' A' ' 833' ' ' THR . 24.4 m -72.06 -49.82 33.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.69 82.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.409 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -53.97 -50.31 66.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.641 173.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.742 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 0.3 OUTLIER -60.31 -54.5 44.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.105 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.485 HG12 ' HE3' ' A' ' 875' ' ' LYS . 74.2 t -57.3 -41.9 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.945 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.49 -36.86 79.52 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.97 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.415 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.15 95.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.567 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.498 ' HA ' HG22 ' A' ' 823' ' ' VAL . 94.0 mttt -57.48 -50.79 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.66 -45.3 93.27 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.515 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.179 0.514 . . . . 0.0 111.151 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.585 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -76.84 -65.3 0.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.909 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.95 -31.03 72.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.765 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -106.44 83.69 1.25 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.9 -40.29 21.75 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.6 2.2 . . . . 0.0 112.655 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -76.6 -9.74 58.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.359 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 35.6 t -79.66 98.26 6.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.406 . . . . 0.0 110.751 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.01 -25.95 66.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.352 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 45.5 mt-10 -60.38 -50.04 75.19 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -64.24 -33.59 76.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.968 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 883' ' ' SER . 72.5 mm-40 -62.34 -48.78 78.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.096 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 53.7 tp60 -63.73 -42.17 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.611 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.1 mtt180 -59.06 -39.81 83.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.431 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 47.2 tp -65.28 -39.78 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.466 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 96.9 mtt180 -58.42 -51.18 70.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 36.2 mt-10 -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.429 0.633 . . . . 0.0 110.532 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.742 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.26 -45.47 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.932 -175.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.48 76.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.123 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.65 -36.3 75.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.264 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.68 93.5 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.462 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.64 -47.65 82.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.35 -47.16 86.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.079 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.0 ttp -58.36 -50.11 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.777 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.49 90.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.382 . . . . 0.0 111.265 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.68 HG21 ' HB ' ' A' ' 805' ' ' ILE . 44.0 m -66.0 -46.57 77.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.44 ' HB2' HD11 ' A' ' 806' ' ' LEU . 57.0 t30 -66.95 -30.83 71.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.054 0.454 . . . . 0.0 109.947 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 906' ' ' GLN . . . -66.26 -44.14 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.981 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.33 73.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.084 0.468 . . . . 0.0 110.279 174.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.1 84.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.173 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 903' ' ' ALA . 2.7 pt20 -78.16 -23.26 47.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.642 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . 0.417 ' HB3' ' CD2' ' A' ' 856' ' ' LEU . 3.6 m-80 -69.23 -16.08 63.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.898 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.187 175.72 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 836' ' ' LEU . 16.5 m-85 . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -67.71 -29.04 68.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.966 -166.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -71.77 -48.67 45.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.02 89.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.038 -177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 21.3 p -67.67 -43.27 80.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.367 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.15 -43.46 61.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.768 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 808' ' ' VAL . 29.7 m -55.31 -54.11 47.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.35 175.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.612 ' HB ' HG21 ' A' ' 901' ' ' THR . 91.1 mt -61.69 -50.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.46 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.3 mm? -55.7 -38.63 69.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.645 0.259 . . . . 0.0 111.35 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 32.7 m -76.28 -46.39 28.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.483 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.654 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 89.1 t -64.52 -27.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.549 0.214 . . . . 0.0 110.999 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 898' ' ' ARG . 54.8 m -52.88 -51.28 61.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 807' ' ' THR . 12.7 pt-20 -67.77 -24.4 65.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.608 0.242 . . . . 0.0 110.815 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.654 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.2 m-20 -58.41 -33.64 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.625 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.524 HG21 HD11 ' A' ' 890' ' ' LEU . 3.4 mp -60.82 -37.26 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -75.06 -30.14 60.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.412 . . . . 0.0 110.329 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.4 t -72.33 -45.44 59.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.4 m -81.61 -2.87 51.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.373 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.603 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 47.3 ttm -50.28 115.68 1.54 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.259 0.552 . . . . 0.0 110.633 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.09 -41.3 1.52 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.7 112.02 23.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.766 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.14 -51.25 64.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.651 -173.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.71 90.87 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.87 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -67.36 -39.29 85.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.751 0.275 . . . . 0.0 111.031 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.6 mtp -61.57 -47.85 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.622 177.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.597 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 75.9 t -65.68 -35.34 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.45 ' O ' HG13 ' A' ' 828' ' ' ILE . 18.5 tpt180 -55.83 -48.7 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 177.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.67 -41.69 98.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.15 81.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.226 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 85.8 mtt-85 -62.84 -42.19 99.64 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.694 0.283 . . . . 0.0 110.351 177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.8 mt -59.91 -44.73 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.578 HD22 HG23 ' A' ' 805' ' ' ILE . 57.2 mt -60.05 -47.26 86.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.95 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.25 -51.89 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -58.91 -48.21 82.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.786 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.62 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.026 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.502 HG21 ' OG1' ' A' ' 867' ' ' THR . 98.4 m -62.91 -40.36 97.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.639 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.2 m -59.34 -45.53 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 110.391 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.64 -36.42 78.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.482 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 798' ' ' TYR . 27.8 tp -68.39 -42.77 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 833' ' ' THR . 56.2 t -55.89 -49.1 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.321 . . . . 0.0 110.612 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.04 -46.12 90.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.281 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.68 72.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.49 -48.79 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.179 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 45.8 mtpt -68.86 -39.15 80.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.757 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.61 79.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 0.0 110.493 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.62 -32.14 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.155 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.94 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.982 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 53.0 mt-10 -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.56 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.0 -20.21 53.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.785 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.87 122.72 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.702 0.401 . . . . 0.0 110.594 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 57.0 p -79.91 -14.02 58.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.696 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . 0.502 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 7.8 t70 -86.83 95.38 9.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.637 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -57.44 -38.71 74.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.355 0.409 . . . . 0.0 110.906 -173.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.04 -39.8 87.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.021 0.439 . . . . 0.0 110.774 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.502 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.2 t30 -72.71 -32.98 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.0 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 50.6 m -60.13 -40.57 90.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.502 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 85.9 mtt-85 -60.64 -40.33 91.59 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.189 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -64.73 -41.74 95.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.609 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 94.2 mt -65.35 -48.97 71.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.47 -46.13 87.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.412 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 14.1 p -69.43 -36.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.37 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.784 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.24 86.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.671 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -63.49 -52.81 59.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.366 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.21 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.93 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 833' ' ' THR . 10.0 tp -61.87 -57.19 12.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.59 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -54.39 -30.02 50.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 0.0 111.705 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.97 -35.51 25.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.51 -33.0 74.62 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.502 ' OG1' HG21 ' A' ' 833' ' ' THR . 5.7 m -69.73 -43.54 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.96 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 110.522 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' ' 869' ' ' LYS . 8.2 mmmm -64.15 -53.66 45.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.276 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.402 ' HB2' ' HB2' ' A' ' 897' ' ' LEU . 11.3 tpt -55.5 -53.6 54.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.332 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 830' ' ' ALA . 40.0 t -59.15 -50.1 81.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.899 -175.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.47 -31.51 69.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.722 0.296 . . . . 0.0 111.369 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.51 75.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.7 -47.57 85.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.966 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.559 ' HA ' HG22 ' A' ' 823' ' ' VAL . 29.4 mtpp -55.67 -48.97 74.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.781 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.01 92.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.97 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -71.0 -27.93 64.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.223 0.535 . . . . 0.0 111.229 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.766 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -80.14 -60.69 2.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.881 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.534 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.8 -35.0 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.073 -175.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -106.59 84.21 1.42 Allowed Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 24.4 Cg_exo -62.46 -38.26 53.78 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.964 2.442 . . . . 0.0 112.752 -168.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.32 -14.33 59.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.797 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.599 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -68.4 105.04 2.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.078 0.466 . . . . 0.0 111.477 -172.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -67.01 -32.1 73.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.998 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.47 -41.65 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.187 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 883' ' ' SER . 14.4 mm100 -67.53 -38.05 83.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 883' ' ' SER . 80.6 mm-40 -59.51 -45.58 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -57.42 -50.24 73.65 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.753 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -54.4 -46.38 73.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.399 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.524 HD11 HG21 ' A' ' 812' ' ' ILE . 58.7 tp -62.48 -48.45 79.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.373 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -58.54 -41.24 85.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 111.07 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.82 -47.36 53.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.95 88.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.112 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.69 84.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.639 0.257 . . . . 0.0 111.144 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.72 -36.64 67.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.3 -44.85 96.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.468 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 870' ' ' MET . 3.0 tm? -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.449 ' HB2' HG21 ' A' ' 809' ' ' THR . 46.8 ttp180 -55.97 -50.11 71.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.222 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 50.0 ttp -59.52 -50.12 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.48 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . 0.425 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -59.6 -45.54 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.98 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.612 HG21 ' HB ' ' A' ' 805' ' ' ILE . 24.4 m -66.5 -45.0 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.93 -39.26 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.672 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . 0.573 ' HA ' HE21 ' A' ' 906' ' ' GLN . . . -64.56 -44.27 91.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.53 78.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.293 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.088 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . 0.573 HE21 ' HA ' ' A' ' 903' ' ' ALA . 50.0 mt-30 -72.94 -25.72 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.927 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -86.17 -6.98 58.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.606 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.407 178.743 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.434 ' HB3' HD21 ' A' ' 836' ' ' LEU . 17.1 m-85 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.16 -33.66 75.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.109 -164.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.96 -46.79 56.13 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.555 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.58 83.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.415 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 34.2 p -64.34 -45.24 88.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.685 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.33 -42.04 69.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.61 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 808' ' ' VAL . 92.6 m -58.87 -54.57 45.58 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.283 176.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.672 ' HB ' HG21 ' A' ' 901' ' ' THR . 65.1 mt -60.77 -50.68 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.504 -177.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.0 OUTLIER -51.08 -52.43 43.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.723 0.297 . . . . 0.0 110.925 178.52 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 47.1 m -65.33 -47.61 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.661 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 804' ' ' THR . 92.8 t -62.82 -34.79 67.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.839 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.6 HG21 ' HB2' ' A' ' 898' ' ' ARG . 90.0 m -55.6 -48.79 74.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -58.31 -31.47 67.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.112 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.16 -21.78 63.04 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.927 -174.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 808' ' ' VAL . 2.8 mp -63.23 -41.53 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.801 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -71.88 -27.82 63.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.9 m -75.11 -32.39 61.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.237 0.541 . . . . 0.0 110.337 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 35.4 m -82.81 -3.75 57.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.562 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.1 mmt -46.52 121.74 3.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.619 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.32 -28.92 7.96 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.416 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.7 t70 -105.91 113.15 26.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.643 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -51.02 65.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.684 -173.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.07 97.5 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.43 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.556 ' OE2' ' HD3' ' A' ' 824' ' ' ARG . 9.5 tp10 -63.99 -45.95 86.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.762 0.315 . . . . 0.0 111.17 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.547 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 90.1 mtp -63.86 -45.24 90.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.438 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 875' ' ' LYS . 89.2 t -65.71 -35.8 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.25 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.556 ' HD3' ' OE2' ' A' ' 821' ' ' GLU . 47.3 ttt180 -55.99 -51.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.499 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 79.6 mm-40 -59.88 -41.82 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.96 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.98 86.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 70.9 mtp180 -68.93 -32.99 73.0 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.796 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.9 mt -66.34 -44.36 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.756 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.591 HD22 HG23 ' A' ' 805' ' ' ILE . 67.2 mt -58.27 -47.35 83.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.562 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.07 -43.7 70.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.088 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -65.98 -48.37 71.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.05 96.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.192 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.533 HG23 ' HG ' ' A' ' 863' ' ' LEU . 49.5 m -60.96 -37.73 83.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.1 m -60.94 -33.74 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.559 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.83 -52.55 49.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.043 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 805' ' ' ILE . 26.0 mt -60.59 -47.91 84.09 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.927 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 833' ' ' THR . 86.7 t -53.82 -42.37 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 -178.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.27 -44.75 35.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.66 0.267 . . . . 0.0 111.254 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.2 68.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.506 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.74 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.062 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.87 -41.41 97.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.278 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.67 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 0.0 110.614 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.19 -34.71 68.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.669 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.22 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.12 -20.29 57.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.664 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -99.31 0.16 57.06 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.245 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.4 tp10 -86.33 144.27 27.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.2 m -89.4 -1.91 58.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.908 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . 0.462 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 17.9 t70 -121.15 113.19 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -29.89 66.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.825 -173.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.85 -46.32 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.47 0.652 . . . . 0.0 109.31 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 847' ' ' GLU . 42.9 t30 -63.72 -40.67 97.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.514 175.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 58.6 m -58.86 -40.27 83.81 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.946 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.53 -42.19 98.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.607 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.0 -44.3 97.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.46 -53.63 55.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.861 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.14 -42.96 81.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.0 m -63.94 -39.92 95.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.87 95.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.9 99.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.59 -52.13 66.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.001 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.19 -43.81 94.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.884 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.533 ' HG ' HG23 ' A' ' 833' ' ' THR . 13.3 tp -60.14 -53.17 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.753 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.99 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.28 -39.11 18.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.439 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.89 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.405 ' OG1' HG21 ' A' ' 833' ' ' THR . 10.2 m -74.07 -43.51 57.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.859 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.32 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.45 -47.05 68.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.696 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 12.9 tpt -55.57 -53.39 56.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.745 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 44.9 t -59.54 -46.11 93.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.895 -175.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.5 -38.94 81.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.698 0.285 . . . . 0.0 111.416 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.04 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.519 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.86 97.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.796 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.637 ' HA ' HG22 ' A' ' 823' ' ' VAL . 98.2 mttt -58.85 -49.38 77.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.762 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.86 91.97 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.892 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.74 -25.37 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -82.76 -64.94 1.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -59.53 -36.86 76.94 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -175.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . 0.41 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 73.6 m80 -106.79 84.25 1.48 Allowed Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 170.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.6 Cg_exo -59.64 -53.19 3.55 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.047 2.498 . . . . 0.0 113.31 -167.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.44 -2.42 31.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -173.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.41 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 67.4 m -71.58 95.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 111.015 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -63.26 -28.12 69.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.162 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 41.9 mt-10 -64.28 -49.59 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.477 178.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -66.83 -32.84 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.363 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.68 -51.24 70.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -65.01 -40.1 94.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.714 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 82.7 mtp180 -63.51 -35.85 81.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.489 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.13 -39.7 90.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.67 -47.75 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.739 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -33.9 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.696 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.01 -47.11 66.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.107 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.39 -35.72 81.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.25 -50.34 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.86 96.89 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.424 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -61.04 -50.3 73.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.344 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.6 ' HB2' HG21 ' A' ' 809' ' ' THR . 52.8 ttp180 -63.74 -40.13 95.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.484 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 52.9 ttp -60.52 -54.66 42.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.66 95.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.256 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.672 HG21 ' HB ' ' A' ' 805' ' ' ILE . 87.9 m -63.72 -49.47 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.246 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 60.6 t30 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.419 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.44 81.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.425 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.78 73.99 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.98 0.419 . . . . 0.0 110.578 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.643 175.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -75.29 -23.8 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.68 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -78.64 -6.56 56.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.208 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 179.629 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.421 ' HB3' HD21 ' A' ' 836' ' ' LEU . 18.4 m-85 . . . . . 0 N--CA 1.461 0.082 0 CA-C-O 120.322 0.106 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . 0.421 ' HA ' ' OG1' ' A' ' 802' ' ' THR . 37.6 t70 -67.11 -28.12 67.9 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -165.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -72.14 -38.29 69.26 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.79 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -78.78 -40.25 33.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 799' ' ' ASP . 32.8 p -64.94 -39.76 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.695 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -48.22 -47.88 35.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.277 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 808' ' ' VAL . 48.6 m -60.85 -51.73 68.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.666 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 836' ' ' LEU . 58.9 mt -58.56 -54.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.374 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 806' ' ' LEU . 2.1 mm? -54.76 -46.06 74.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.403 0.144 . . . . 0.0 111.287 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -65.95 -44.93 83.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.284 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 86.2 t -69.27 -36.01 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.066 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 898' ' ' ARG . 98.9 m -54.87 -53.38 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.412 . . . . 0.0 111.832 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.32 -24.9 67.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 86.3 m-20 -62.53 -27.68 69.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.685 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.455 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.0 mp -56.96 -43.28 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.422 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 894' ' ' ALA . 96.3 m-85 -70.82 -33.75 71.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.78 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 21.4 t -75.29 -27.73 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -82.79 -2.93 55.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.311 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 9.6 mmt -45.64 108.37 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.502 0.501 . . . . 0.0 111.431 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 139.6 -45.09 1.03 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -103.71 115.67 30.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 0.0 110.283 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.613 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.02 -46.82 82.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.393 -176.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.92 -45.67 79.79 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.386 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.4 tp10 -67.34 -43.48 81.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.884 0.342 . . . . 0.0 110.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.54 -47.9 83.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.764 0.316 . . . . 0.0 110.916 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.7 -37.14 79.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.368 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -60.46 -43.6 96.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 32.1 mm-40 -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.467 ' HB1' HG13 ' A' ' 871' ' ' VAL . . . -61.31 -36.48 80.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.1 -46.78 87.43 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.076 0.465 . . . . 0.0 110.286 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.42 -43.26 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.386 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.1 -43.49 98.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.031 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.22 -45.19 84.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.33 -49.46 71.64 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.94 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.593 HG23 ' HG ' ' A' ' 863' ' ' LEU . 42.9 m -60.24 -41.6 93.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.4 m -61.23 -43.14 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -41.49 90.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.625 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -62.34 -46.68 87.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.57 HG13 ' HB1' ' A' ' 860' ' ' ALA . 73.4 t -55.48 -43.93 74.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.756 0.312 . . . . 0.0 110.689 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.79 -45.92 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.07 98.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 836' ' ' LEU . 75.7 mt -63.8 -46.9 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 98.2 mttt -58.76 -43.11 90.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.703 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.27 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.038 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -70.41 -32.57 70.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.66 78.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.747 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 49.9 mm-40 -70.17 -34.04 72.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.139 0.495 . . . . 0.0 110.271 176.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -92.69 10.03 74.7 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.7 tp10 -88.92 142.92 27.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 10.0 m -78.82 -29.14 44.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 852' ' ' ASN . 27.2 m-20 -91.05 107.12 18.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.152 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.97 -42.19 98.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.618 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.95 -34.82 75.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.485 ' HB3' ' HB2' ' A' ' 849' ' ' ASP . 63.8 t30 -77.43 -32.68 54.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.266 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.486 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 40.5 m -56.72 -41.65 77.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.223 0.535 . . . . 0.0 109.904 174.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 854' ' ' ARG . 22.5 mtp180 -68.6 -33.33 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.268 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.14 -43.62 86.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.032 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.36 -46.89 88.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.299 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 853' ' ' SER . 97.8 mt -58.9 -39.2 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 177.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.0 t -64.67 -48.15 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.135 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.31 90.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.57 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -60.42 -40.9 92.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.764 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.24 -52.42 54.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -41.95 68.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.593 ' HG ' HG23 ' A' ' 833' ' ' THR . 6.8 tp -59.97 -56.82 16.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.853 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.84 -29.23 62.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 869' ' ' LYS . 46.7 m-20 -82.58 -45.33 14.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.802 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.7 -30.74 65.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.099 0.476 . . . . 0.0 109.857 175.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 871' ' ' VAL . 29.6 m -67.58 -52.8 34.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.823 177.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.84 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.857 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 865' ' ' ASP . 51.2 mtpt -63.49 -51.64 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.139 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 7.1 ptm -72.68 -30.74 64.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.287 -174.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.467 HG13 ' HB1' ' A' ' 826' ' ' ALA . 53.5 t -64.82 -44.24 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.781 0.324 . . . . 0.0 110.58 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -72.0 -34.74 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.32 92.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.52 96.37 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.56 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -51.74 -52.87 45.38 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.65 82.9 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.033 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.98 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 0.0 111.059 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.34 -67.39 0.8 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.566 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.92 -34.23 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.507 -173.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -107.66 83.12 1.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 172.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 9.7 Cg_exo -70.23 -27.09 24.65 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.882 2.388 . . . . 0.0 112.549 -171.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.26 -25.69 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 39.2 m -72.7 122.58 21.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -93.55 -30.6 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.597 -175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 mt-10 -60.71 -40.48 92.4 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.097 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 54.7 mm-40 -63.29 -45.82 89.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.087 0.47 . . . . 0.0 110.07 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -65.09 -43.74 91.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.1 mtt180 -61.66 -37.13 82.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.447 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 812' ' ' ILE . 53.1 tp -65.27 -39.95 93.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.642 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 68.8 mtp180 -53.63 -46.77 70.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.988 0.423 . . . . 0.0 110.631 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -75.52 -44.81 41.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.457 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.48 78.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.571 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 813' ' ' PHE . . . -68.47 -41.02 80.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.438 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.8 -28.8 67.89 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.728 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.04 75.44 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.377 174.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.41 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -67.48 -45.43 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 809' ' ' THR . 70.9 ttt180 -53.78 -48.85 69.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.379 175.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 20.4 ttt -62.36 -47.11 85.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.368 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.85 79.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.911 0.386 . . . . 0.0 111.383 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . . . . . . . . . 16.6 m -67.44 -45.33 76.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.72 -40.61 88.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.51 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -65.14 -49.37 70.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.466 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.73 -35.41 74.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.058 0.456 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.63 -52.36 66.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.846 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -79.01 -22.64 45.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.594 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 18.2 t-20 -59.88 -45.86 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.654 -177.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.225 0 O-C-N 123.987 0.804 . . . . 0.0 111.605 -178.308 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.518 ' HB3' HD21 ' A' ' 836' ' ' LEU . 6.6 m-85 . . . . . 0 CA--C 1.523 -0.083 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . 0.449 ' HA ' ' OG1' ' A' ' 802' ' ' THR . 30.2 t70 -67.31 -29.21 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.983 -168.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.08 -42.51 76.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.09 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -76.22 -41.39 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.456 HG22 HD11 ' A' ' 836' ' ' LEU . 19.9 p -62.74 -47.38 83.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.409 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -49.94 -42.71 49.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.151 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.7 m -60.49 -52.16 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.814 HD12 HD12 ' A' ' 836' ' ' LEU . 65.3 mt -62.69 -51.61 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.578 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 806' ' ' LEU . 1.7 mm? -53.58 -40.63 65.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.644 0.259 . . . . 0.0 111.16 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.3 m -76.05 -48.82 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.583 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.449 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 96.2 t -63.95 -30.95 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.208 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.691 HG21 ' HB2' ' A' ' 898' ' ' ARG . 58.6 m -52.84 -47.75 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 111.455 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -62.5 -25.91 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 83.3 m-20 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -172.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.59 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.1 mp -61.81 -37.9 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.233 0.539 . . . . 0.0 109.931 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -72.12 -27.14 62.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.595 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.2 m -76.03 -27.92 57.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 110.321 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 74.1 m -82.67 -3.35 56.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.558 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.0 mmt -48.48 128.52 14.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 119.38 -52.05 0.73 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.38 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 822' ' ' MET . 35.2 t70 -101.21 113.23 26.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 109.887 176.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.474 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.94 -47.63 79.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.557 -173.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.73 -44.95 60.78 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.707 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.8 tt0 -67.94 -37.4 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 117.029 0.414 . . . . 0.0 111.003 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 87.2 mtp -58.85 -45.75 89.37 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.084 0.468 . . . . 0.0 110.507 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.649 HG22 ' HA ' ' A' ' 875' ' ' LYS . 70.6 t -66.01 -33.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.734 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.49 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.6 ttp180 -62.01 -42.47 99.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.59 ' HB2' HG13 ' A' ' 812' ' ' ILE . 77.7 mm-40 -61.91 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -60.22 -39.08 85.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.038 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -64.13 -35.31 80.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.7 mt -64.5 -47.47 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.963 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.0 83.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.822 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.37 -47.46 76.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.07 93.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.285 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 863' ' ' LEU . 85.4 m -61.67 -39.0 89.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.3 m -64.14 -44.4 92.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.543 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.42 -37.92 89.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.198 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.814 HD12 HD12 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -63.75 -49.09 74.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.069 177.491 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.696 HG13 ' HB1' ' A' ' 860' ' ' ALA . 76.4 t -59.39 -41.76 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.001 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -59.23 -41.95 89.91 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.973 0.416 . . . . 0.0 110.626 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.64 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 836' ' ' LEU . 70.4 mt -58.1 -47.81 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.81 -52.06 67.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.819 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.41 82.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -68.71 -38.9 80.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.02 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 856' ' ' LEU . . . -64.86 -33.18 75.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.273 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.44 -32.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.51 -25.13 33.96 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.657 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.9 tp10 -60.39 132.63 54.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.695 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.9 m -92.97 -5.79 49.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.646 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . 0.464 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 13.6 t70 -88.76 108.45 19.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 850' ' ' LEU . 0.8 OUTLIER -59.35 -47.23 86.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.808 -170.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.464 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 9.4 pt-20 -67.29 -33.88 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.002 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.532 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.7 t30 -68.54 -39.06 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.856 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 67.8 m -60.19 -49.33 78.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.565 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.828 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 855' ' ' LYS . 35.0 ttpt -62.74 -46.29 88.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.51 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 97.7 mt -61.03 -49.04 78.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.47 -30.92 71.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.455 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 50.5 m -77.46 -36.07 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.746 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.49 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.696 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -59.57 -41.41 90.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.26 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -58.65 -50.93 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.009 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.24 -48.34 89.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.496 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.2 tp -58.1 -55.77 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.739 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.93 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.481 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.29 -37.83 27.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -60.48 -33.78 73.09 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.433 ' OG1' HG21 ' A' ' 833' ' ' THR . 5.8 m -72.86 -42.31 63.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.165 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.52 80.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 110.29 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -60.66 -53.97 50.93 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.138 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 11.8 tpt -55.52 -52.47 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.194 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.491 ' HA ' ' HB1' ' A' ' 826' ' ' ALA . 40.9 t -59.0 -49.09 84.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.696 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.994 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.18 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.198 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.67 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.346 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.649 ' HA ' HG22 ' A' ' 823' ' ' VAL . 54.2 mtpt -58.44 -47.28 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.07 87.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.911 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . 0.506 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -67.7 -27.72 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.149 0.499 . . . . 0.0 111.065 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -77.05 -63.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.684 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.548 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -64.78 -30.1 71.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.283 -175.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . 0.547 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 38.8 m80 -105.72 85.58 1.54 Allowed Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 16.7 Cg_exo -66.93 -57.86 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.839 2.359 . . . . 0.0 112.751 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.98 -3.99 35.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.736 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.547 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 21.1 m -74.68 97.6 3.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.032 0.444 . . . . 0.0 110.574 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.72 -30.06 69.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.076 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.93 -48.01 83.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 109.862 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 14.4 mm100 -66.48 -41.65 88.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.493 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -57.34 -50.74 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.51 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 58.0 tp60 -58.56 -48.96 79.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.799 178.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -57.99 -41.45 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.492 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.01 -43.44 95.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.667 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 89.4 mtt180 -57.8 -40.97 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.278 0.561 . . . . 0.0 110.186 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 41.7 mt-10 -73.41 -43.65 60.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.13 62.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . 0.466 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -62.78 -50.38 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.312 . . . . 0.0 111.132 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.15 -28.49 67.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -71.49 -38.61 61.92 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.646 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.589 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.4 tm? -63.42 -46.87 84.34 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 174.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.691 ' HB2' HG21 ' A' ' 809' ' ' THR . 51.1 ttp180 -57.73 -47.34 82.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.06 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 26.0 ttt -58.4 -47.46 83.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.346 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.83 92.89 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.935 0.398 . . . . 0.0 110.941 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.52 HG21 ' HB ' ' A' ' 805' ' ' ILE . 30.7 m -66.36 -43.7 85.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.937 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 33.2 t-20 -58.2 -46.0 86.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.774 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.68 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.055 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.32 -29.98 71.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -63.05 -39.53 95.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.766 176.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -78.1 -23.51 47.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.993 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -70.89 -14.41 62.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.228 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.424 ' HB2' ' CD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.673 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.448 -0.562 0 CA-C-O 120.728 0.299 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.86 -34.42 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.412 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.84 -45.38 86.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.107 0.48 . . . . 0.0 110.245 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -72.38 -44.16 62.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.049 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.868 HG21 ' HB2' ' A' ' 905' ' ' ALA . 46.7 p -67.26 -44.72 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.446 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.57 -35.89 75.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.216 0.531 . . . . 0.0 109.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 808' ' ' VAL . 93.0 m -67.34 -58.02 5.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.344 174.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.75 HG23 HD22 ' A' ' 829' ' ' LEU . 81.7 mt -55.79 -46.6 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 122.318 0.247 . . . . 0.0 111.614 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.0 mp -56.31 -42.36 77.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.389 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 31.0 m -76.69 -39.28 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.582 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.601 HG13 HE21 ' A' ' 825' ' ' GLN . 74.8 t -65.65 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 122.045 -0.409 . . . . 0.0 110.596 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 898' ' ' ARG . 93.4 m -57.74 -54.18 49.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.809 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.11 -25.52 65.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 110.218 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.74 -21.83 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.987 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.51 HG21 HD11 ' A' ' 890' ' ' LEU . 2.4 mp -65.01 -38.65 83.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -72.81 -32.25 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.387 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 16.7 t -68.97 -39.81 79.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.972 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 16.3 m -83.08 -6.3 59.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.529 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.439 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.3 ttm -53.1 119.37 4.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.735 -177.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 118.08 -0.27 16.98 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.478 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -134.68 117.02 15.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.623 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.11 -54.35 35.38 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.0 111.703 -174.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.59 -46.19 93.58 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.205 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 39.9 tp10 -68.39 -35.2 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.572 0.225 . . . . 0.0 111.266 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.439 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -66.08 -44.68 83.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.651 0.262 . . . . 0.0 110.853 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 57.9 t -66.06 -36.72 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.117 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 821' ' ' GLU . 76.9 ttt180 -52.07 -52.28 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.62 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.601 HE21 HG13 ' A' ' 808' ' ' VAL . 15.4 mm100 -64.46 -39.31 93.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.996 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.29 82.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.771 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 30.0 mtm180 -66.02 -36.55 83.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.693 0.283 . . . . 0.0 110.671 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.478 ' HB ' HG11 ' A' ' 808' ' ' VAL . 55.7 mt -61.61 -39.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.983 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 805' ' ' ILE . 82.8 mt -62.31 -48.55 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.666 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.94 -49.97 66.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.151 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.28 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.629 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.51 HG23 ' HG ' ' A' ' 863' ' ' LEU . 49.6 m -58.59 -34.97 71.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.078 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.7 m -58.65 -33.44 70.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.82 -43.93 67.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.876 0.37 . . . . 0.0 110.213 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.81 -46.02 89.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 833' ' ' THR . 90.4 t -55.88 -37.83 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.704 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.43 -49.91 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.389 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.75 47.34 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.409 HG23 HD22 ' A' ' 856' ' ' LEU . 73.3 mt -60.02 -39.93 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.642 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 38.8 ttmt -68.18 -43.21 78.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.737 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.65 93.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.29 -36.08 82.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . 0.542 ' HB1' ' HG ' ' A' ' 857' ' ' LEU . . . -66.99 -39.26 87.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 177.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 52.4 mt-10 -72.96 -15.13 61.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.083 0.468 . . . . 0.0 110.452 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -93.55 -36.9 5.71 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.12 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.32 127.71 33.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 39.5 m -82.15 -16.06 51.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.18 115.19 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -39.18 93.89 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.44 -36.98 82.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.45 -36.66 45.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.557 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 18.5 p -69.86 -45.22 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.719 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.3 -38.05 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.629 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . 0.413 ' HB3' ' HE2' ' A' ' 855' ' ' LYS . 36.8 ttpt -61.01 -51.31 69.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.405 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 844' ' ' ALA . 90.2 mt -62.92 -44.43 96.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.542 ' HG ' ' HB1' ' A' ' 844' ' ' ALA . 75.0 mt -59.12 -41.97 89.44 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.056 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.9 m -68.32 -42.26 79.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.109 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.45 93.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.88 -43.51 71.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.8 -43.96 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.95 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.51 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.2 tp -58.09 -53.2 60.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.334 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.77 67.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.874 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.28 -35.44 35.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.412 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . 0.565 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -59.91 -36.24 76.58 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.454 ' OG1' HG21 ' A' ' 833' ' ' THR . 15.6 m -70.85 -46.52 62.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.072 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.55 78.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.454 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -70.68 -45.42 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.285 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.34 -52.24 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.827 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.5 t -61.28 -45.68 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.709 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -67.72 -37.57 82.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.3 82.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.508 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . 0.458 ' HA ' HD13 ' A' ' 890' ' ' LEU . . . -55.99 -44.07 78.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.281 176.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 871' ' ' VAL . 99.5 mttt -56.39 -51.81 66.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.17 86.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.596 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . 0.52 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.35 -32.03 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.623 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -73.42 -59.07 2.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.36 -30.04 70.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.471 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -106.89 80.67 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.5 -40.26 18.95 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.564 2.176 . . . . 0.0 112.844 -169.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -76.95 -18.14 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.078 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 26.6 m -79.56 102.01 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.032 0.444 . . . . 0.0 111.216 -175.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 887' ' ' GLN . 42.0 mt-10 -73.57 -19.15 60.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 12.7 mm100 -68.48 -40.81 80.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.003 174.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 78.0 mm-40 -59.48 -43.05 93.35 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.642 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -54.07 -53.82 47.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.37 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -56.15 -43.7 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.79 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.51 HD11 HG21 ' A' ' 812' ' ' ILE . 41.0 tp -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.112 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.5 mtt180 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.613 -174.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.23 -34.88 73.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.85 61.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.9 99.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.997 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 47.6 mt-10 -66.3 -38.84 88.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.164 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.02 95.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.691 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.565 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -64.21 -49.29 72.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.935 0.398 . . . . 0.0 110.267 176.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 809' ' ' THR . 28.6 ttt180 -60.56 -43.22 97.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.75 -46.88 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.774 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.37 94.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.065 0.46 . . . . 0.0 110.843 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.663 HG21 ' HB ' ' A' ' 805' ' ' ILE . 43.9 m -64.26 -51.8 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.022 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 906' ' ' GLN . 37.5 t-20 -58.19 -42.17 85.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.934 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.75 93.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.57 70.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 110.602 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -63.44 -42.14 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.975 176.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 64.0 mm-40 -70.9 -23.43 62.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.201 0.524 . . . . 0.0 110.422 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -78.25 -5.42 51.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.798 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.137 0.494 . . . . 0.0 110.927 178.503 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.62 ' CD2' ' HB2' ' A' ' 908' ' ' ALA . 12.9 m-30 . . . . . 0 N--CA 1.464 0.229 0 CA-C-O 120.555 0.217 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.1 -30.03 69.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.035 -170.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -72.6 -32.77 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.051 0.453 . . . . 0.0 110.571 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.65 -42.95 21.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.808 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.441 HG23 HD11 ' A' ' 836' ' ' LEU . 12.5 p -64.4 -34.14 77.48 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.573 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -52.55 -44.15 65.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.439 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 808' ' ' VAL . 50.2 m -63.4 -54.73 32.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.54 HG23 HD22 ' A' ' 829' ' ' LEU . 76.4 mt -58.4 -49.11 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.198 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.6 mp -57.55 -44.73 85.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 34.2 m -69.91 -43.47 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.192 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 93.1 t -66.24 -31.1 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.547 0.213 . . . . 0.0 110.851 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 93.1 m -57.71 -42.83 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.772 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.37 -30.64 62.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.349 0.595 . . . . 0.0 110.157 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 0.9 OUTLIER -67.05 -32.51 73.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.135 -173.364 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.427 ' H ' HD12 ' A' ' 812' ' ' ILE . 4.2 mp -64.4 -36.34 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.58 -26.69 55.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.1 t -77.34 -33.76 55.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.5 p -83.38 -2.94 56.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.735 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.6 mmt -42.46 105.37 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.598 0.561 . . . . 0.0 112.373 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.32 -24.52 5.3 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.186 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -98.25 106.69 19.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 879' ' ' ALA . . . -65.59 -31.88 73.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 -173.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -76.7 -48.84 8.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.2 tt0 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -174.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.516 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 88.1 mtp -58.57 -40.76 84.03 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.917 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.701 HG22 ' HA ' ' A' ' 875' ' ' LYS . 54.3 t -69.12 -40.35 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.043 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.482 ' O ' HG13 ' A' ' 828' ' ' ILE . 74.6 ttt180 -56.23 -44.71 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.925 177.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 8.8 mm100 -69.56 -38.46 77.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.864 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -39.21 80.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.964 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.06 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.694 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 824' ' ' ARG . 64.8 mt -65.71 -42.29 92.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.931 0.396 . . . . 0.0 109.976 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.54 HD22 HG23 ' A' ' 805' ' ' ILE . 52.1 mt -61.24 -50.52 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.707 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.72 -46.3 74.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -65.13 -43.86 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.67 77.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 837' ' ' VAL . 53.9 m -58.98 -40.45 84.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.709 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.1 m -59.17 -43.87 92.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.54 -38.72 87.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.633 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.504 HD12 HD12 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -68.68 -46.66 68.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.755 -178.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 833' ' ' THR . 83.5 t -57.72 -40.62 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.197 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.71 -39.38 84.46 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.853 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 836' ' ' LEU . 61.6 mt -60.92 -47.38 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.468 ' HE3' ' CG1' ' A' ' 837' ' ' VAL . 98.7 mttt -58.82 -47.17 85.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.882 0.372 . . . . 0.0 111.022 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.15 80.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.508 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . 0.408 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 33.8 t70 -72.43 -31.48 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 109.956 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.14 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.29 -15.88 61.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.749 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -91.84 -2.99 68.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.755 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -78.0 148.25 34.48 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.511 0.324 . . . . 0.0 110.262 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.5 m -89.19 -28.03 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.925 0.393 . . . . 0.0 110.454 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . 0.516 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 13.5 t70 -86.6 112.66 21.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 850' ' ' LEU . 2.3 tm? -63.98 -40.15 95.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.835 0.35 . . . . 0.0 110.797 -173.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -71.31 -39.55 71.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.42 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.516 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.6 t30 -68.04 -25.39 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.282 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.9 m -65.02 -46.0 83.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -65.38 -37.13 86.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.197 0.522 . . . . 0.0 109.72 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 852' ' ' ASN . 79.3 tttt -56.26 -48.87 75.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.697 175.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.22 -49.7 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 174.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.91 -34.87 70.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 36.6 t -58.51 -47.41 84.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.33 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.44 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.9 91.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -62.65 -47.54 83.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.62 -44.63 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.471 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.463 ' HG ' HG23 ' A' ' 833' ' ' THR . 8.2 tp -60.02 -57.48 12.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.757 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.38 62.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.936 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.87 -42.59 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.639 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.65 68.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.086 0.47 . . . . 0.0 110.061 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.43 ' OG1' HG21 ' A' ' 833' ' ' THR . 17.5 m -73.01 -47.03 48.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.076 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.63 82.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.82 -49.85 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.296 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.558 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.7 tpt -55.02 -51.17 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.906 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 40.0 t -58.36 -50.93 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.791 -176.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.91 -38.3 90.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 110.971 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.07 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.71 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.677 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.701 ' HA ' HG22 ' A' ' 823' ' ' VAL . 9.4 mtpm? -59.53 -47.69 84.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.039 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 880' ' ' HIS . . . -68.73 -40.49 85.34 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.754 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -72.01 -26.85 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.047 0.451 . . . . 0.0 111.021 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -75.66 -65.08 0.94 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.751 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.551 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -63.4 -29.78 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . 0.588 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 58.4 m-70 -107.06 81.66 0.99 Allowed Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 169.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.551 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 19.4 Cg_exo -65.81 -49.21 2.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.676 2.251 . . . . 0.0 112.89 -170.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.78 -7.9 56.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.217 -174.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.588 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 53.8 m -67.54 108.61 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 0.0 111.358 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . 0.586 ' H ' ' CD ' ' A' ' 884' ' ' GLU . 1.6 mp0 -57.35 -47.94 80.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.036 -177.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 tt0 -67.59 -35.82 79.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.746 -175.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 15.7 mm100 -65.14 -41.15 95.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.727 0.299 . . . . 0.0 110.313 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.2 mm-40 -62.47 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.67 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.5 mtt180 -55.2 -44.31 75.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.371 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.413 HD21 ' CG2' ' A' ' 812' ' ' ILE . 43.8 tp -65.87 -41.68 91.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.222 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 75.7 mtp180 -61.42 -31.78 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.99 -47.32 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.97 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.558 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.16 -43.93 85.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.933 -176.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 898' ' ' ARG . . . -63.82 -42.13 97.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.94 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.51 -33.59 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.539 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.2 44.44 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.477 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.35 -45.84 83.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.602 . . . . 0.0 109.764 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 894' ' ' ALA . 46.7 ttt180 -55.96 -53.76 52.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.693 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 55.3 ttp -63.51 -44.49 94.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.13 90.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.996 0.427 . . . . 0.0 110.975 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.501 HG21 ' HB ' ' A' ' 805' ' ' ILE . 18.5 m -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.734 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 24.8 t-20 -61.15 -42.27 98.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -63.07 -48.02 80.45 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.579 176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.74 72.42 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -59.62 -54.06 50.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.986 176.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -76.19 -23.75 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.853 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 7.6 t-20 -65.57 -40.93 93.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.743 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.62 ' HB2' ' CD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.503 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.427 ' HB3' HD21 ' A' ' 836' ' ' LEU . 1.6 m-85 . . . . . 0 C--O 1.223 -0.297 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -66.19 -38.45 88.04 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.634 -167.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.34 -43.04 58.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 109.963 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.42 86.11 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.514 HG22 HD11 ' A' ' 836' ' ' LEU . 34.2 p -65.95 -49.19 68.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.314 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.73 -37.05 62.95 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 808' ' ' VAL . 54.2 m -56.6 -56.35 22.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.127 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.743 HD12 HD12 ' A' ' 836' ' ' LEU . 69.3 mt -61.39 -45.8 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.319 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 902' ' ' ASN . 1.4 mm? -53.16 -45.44 68.44 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.8 m -67.99 -42.41 80.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.489 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 804' ' ' THR . 47.9 t -64.9 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.408 HG21 ' HB2' ' A' ' 898' ' ' ARG . 96.6 m -53.56 -52.99 57.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.448 -176.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.53 -24.66 67.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.176 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -66.72 -24.05 66.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.767 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.413 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.6 mp -61.4 -36.8 75.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.154 177.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.46 -28.01 61.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 7.8 m -71.72 -41.31 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.22 0.533 . . . . 0.0 110.082 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.6 t -82.58 -8.69 59.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.629 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.4 ttm -50.1 111.39 0.51 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.318 -174.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.25 -23.93 3.81 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.622 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.59 121.13 41.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.286 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 879' ' ' ALA . . . -64.54 -33.92 77.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.26 -175.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -77.78 -56.95 3.66 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.105 -0.569 . . . . 0.0 113.707 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 44.3 mm-40 -68.19 -30.93 70.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.629 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 82.2 mtp -63.75 -41.2 98.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.569 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 81.3 t -68.92 -34.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 828' ' ' ILE . 52.9 ttt180 -54.56 -53.42 54.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.302 175.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.533 ' HA ' HD12 ' A' ' 828' ' ' ILE . 77.8 mm-40 -62.29 -40.37 96.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.52 96.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.64 -37.3 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 825' ' ' GLN . 84.7 mt -61.61 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.564 HD22 HG23 ' A' ' 805' ' ' ILE . 52.6 mt -59.35 -46.67 87.99 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.492 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -57.04 -50.49 72.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.23 -44.19 89.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.281 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.543 HG21 ' OG1' ' A' ' 867' ' ' THR . 85.7 m -61.51 -36.21 79.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.8 m -60.25 -45.47 93.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.573 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.643 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.743 HD12 HD12 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -62.42 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.257 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.681 HG13 ' HB1' ' A' ' 860' ' ' ALA . 73.4 t -59.69 -41.0 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.27 -44.45 95.31 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.48 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.977 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 836' ' ' LEU . 76.4 mt -62.79 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 178.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 837' ' ' VAL . 68.8 mttm -57.32 -46.02 83.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 110.772 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.06 82.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.203 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.8 -42.49 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.344 0.593 . . . . 0.0 109.648 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -60.63 -28.41 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -66.52 -35.69 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -81.86 -23.86 56.76 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.65 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 125.93 28.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.066 0.46 . . . . 0.0 110.696 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.4 m -81.58 -22.13 37.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -79.88 105.21 11.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.753 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 853' ' ' SER . 4.3 mp -63.25 -34.64 78.11 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 855' ' ' LYS . 41.1 mt-10 -60.51 -51.63 68.64 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.518 ' HA ' ' HZ2' ' A' ' 855' ' ' LYS . 62.2 t30 -65.32 -41.09 94.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.625 176.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 850' ' ' LEU . 48.4 t -60.94 -51.26 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.771 -177.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -64.8 -33.39 75.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.144 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . 0.518 ' HZ2' ' HA ' ' A' ' 852' ' ' ASN . 9.8 mtmp? -65.68 -37.86 87.66 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.649 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.36 -49.93 74.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.917 0.389 . . . . 0.0 110.475 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.58 -39.75 92.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.2 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.7 m -65.67 -43.25 89.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.553 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.78 -41.73 97.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.917 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.681 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -63.95 -47.28 81.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.8 -46.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.556 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.9 -57.02 14.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.475 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.77 -26.97 58.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.958 0.409 . . . . 0.0 111.268 -176.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.74 -35.19 22.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.312 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -60.18 -38.1 82.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.543 ' OG1' HG21 ' A' ' 833' ' ' THR . 6.0 m -65.08 -43.57 91.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.881 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.39 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.767 0.318 . . . . 0.0 111.012 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.33 -48.15 76.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.532 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.4 tpt -55.76 -52.73 62.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.574 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 830' ' ' ALA . 44.3 t -60.48 -46.01 96.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.595 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -65.45 -37.63 87.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.546 0.212 . . . . 0.0 111.346 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.39 77.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.503 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.61 96.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -55.42 -50.33 70.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.59 -41.0 66.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.731 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.09 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 0.0 111.066 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 822' ' ' MET . . . -72.78 -64.25 1.0 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.61 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -61.27 -31.52 71.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.346 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -106.59 81.69 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 170.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 22.8 Cg_exo -63.65 -48.53 5.49 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.86 2.373 . . . . 0.0 113.064 -166.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.14 -3.56 36.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.175 -174.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.505 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -77.05 96.15 4.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.138 0.494 . . . . 0.0 110.14 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.45 -22.7 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.349 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -65.66 -39.34 91.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 0.0 109.938 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.9 -38.01 67.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.064 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 883' ' ' SER . 76.3 mm-40 -57.84 -45.9 85.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.216 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -60.53 -44.74 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.153 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -62.34 -38.82 90.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 110.321 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.413 HD21 ' CG2' ' A' ' 812' ' ' ILE . 63.4 tp -63.05 -42.5 99.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.77 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.7 mtt180 -56.35 -44.27 79.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -73.72 -39.63 64.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.64 -47.04 73.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.296 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.78 99.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.265 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.85 -36.99 86.13 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.776 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.91 86.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.76 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.453 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -64.04 -46.93 82.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.408 ' HB2' HG21 ' A' ' 809' ' ' THR . 42.4 ttt180 -58.63 -47.04 85.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.649 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 21.8 ttt -58.24 -50.82 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.223 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.69 93.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 111.285 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.592 HG21 ' HB ' ' A' ' 805' ' ' ILE . 51.1 m -63.47 -48.36 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.572 ' HB2' HD11 ' A' ' 806' ' ' LEU . 63.4 t30 -65.16 -28.69 69.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.162 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -72.75 -44.49 61.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.02 74.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.456 . . . . 0.0 110.094 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -55.78 -44.84 78.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.724 174.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -78.52 -23.57 46.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.275 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.65 -8.04 58.27 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.065 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.73 ' CE2' HG12 ' A' ' 840' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 120.53 0.205 . . . . 0.0 111.08 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.8 -38.25 83.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -70.79 -29.17 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.902 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.47 22.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.917 0.389 . . . . 0.0 110.312 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.792 HG21 ' HB2' ' A' ' 905' ' ' ALA . 38.2 p -64.99 -37.24 87.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -46.7 -43.98 18.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 111.023 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 808' ' ' VAL . 18.8 m -63.8 -52.12 61.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.624 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.652 ' HB ' HG21 ' A' ' 901' ' ' THR . 62.7 mt -60.31 -49.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.505 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.514 ' CD1' ' HG3' ' A' ' 898' ' ' ARG . 1.1 mm? -54.92 -39.01 68.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.739 0.304 . . . . 0.0 110.995 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.7 m -76.05 -44.41 39.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.651 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.617 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 97.4 t -68.1 -31.05 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 898' ' ' ARG . 53.5 m -54.01 -53.22 55.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.92 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.8 -24.36 66.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.94 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.617 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 96.0 m-20 -58.3 -29.93 66.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.745 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.72 -38.06 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.615 0.245 . . . . 0.0 110.894 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -72.57 -35.07 67.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.9 0.381 . . . . 0.0 110.703 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.7 m -71.31 -40.65 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.173 0.511 . . . . 0.0 110.658 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 15.0 m -83.08 -2.83 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.316 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.588 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 43.2 ttm -55.38 126.25 24.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.08 0.466 . . . . 0.0 110.744 -178.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 122.57 -30.23 5.2 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.96 117.15 34.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.565 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -66.86 -40.51 87.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.872 -173.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -70.64 -41.33 65.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.936 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.58 -41.71 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.565 0.221 . . . . 0.0 111.253 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -60.54 -45.35 94.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.501 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.654 HG22 ' HA ' ' A' ' 875' ' ' LYS . 70.8 t -66.91 -36.61 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.165 0.507 . . . . 0.0 110.279 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 828' ' ' ILE . 67.6 ttt180 -61.44 -48.51 80.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.64 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -61.49 -40.16 93.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.53 82.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.227 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 827' ' ' ARG . 53.8 mtp180 -68.33 -32.46 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.656 0.265 . . . . 0.0 110.857 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.0 mt -63.6 -41.44 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.574 HD22 HG23 ' A' ' 805' ' ' ILE . 83.2 mt -60.58 -45.56 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.583 174.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.72 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.23 -43.8 97.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.215 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 837' ' ' VAL . 52.7 m -60.89 -33.94 73.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.728 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.3 m -57.7 -39.91 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.04 -41.67 90.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.11 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.548 ' O ' HG13 ' A' ' 840' ' ' ILE . 27.1 mt -66.64 -47.47 72.48 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.725 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 833' ' ' THR . 99.5 t -53.82 -41.3 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.797 0.332 . . . . 0.0 110.411 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -65.74 -49.84 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.94 -54.16 48.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.73 HG12 ' CE2' ' A' ' 798' ' ' TYR . 53.0 mt -56.69 -46.06 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.003 0.43 . . . . 0.0 111.414 -175.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -72.91 -32.87 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.536 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.48 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.958 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . 0.441 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.5 t70 -75.63 -27.0 58.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.043 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.41 -23.93 67.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.521 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.41 -23.27 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.94 65.25 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.587 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 8.8 tp10 -76.55 133.8 39.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.985 0.421 . . . . 0.0 110.198 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 31.8 t -86.76 -15.06 40.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.217 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 17.7 t70 -89.25 112.47 23.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -31.75 67.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.582 -172.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -64.9 -44.0 91.02 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.408 ' OD1' ' HE3' ' A' ' 855' ' ' LYS . 53.8 t30 -66.58 -39.05 88.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 175.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 46.6 m -56.61 -47.76 78.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.978 0.418 . . . . 0.0 110.086 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -63.55 -37.07 85.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.965 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 855' ' ' LYS . 1.7 tmmt? -69.2 -37.87 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.651 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.61 -44.02 87.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.897 0.38 . . . . 0.0 110.36 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 853' ' ' SER . 85.4 mt -57.92 -41.08 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 6.3 p -72.3 -29.25 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.169 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.38 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.939 0.4 . . . . 0.0 110.231 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.19 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.315 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.25 -44.13 92.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.913 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.93 -51.35 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.424 ' HG ' HG23 ' A' ' 833' ' ' THR . 14.0 tp -54.75 -52.09 63.62 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.012 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.14 66.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.3 -175.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.18 -30.47 22.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.384 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.86 75.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 23.8 m -70.94 -41.33 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.084 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.87 -52.53 64.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.712 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -58.62 -43.49 89.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.671 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.45 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.8 tpt -59.63 -56.08 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.332 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.485 HG12 ' HE3' ' A' ' 875' ' ' LYS . 55.9 t -60.58 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.764 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 45.7 mm-40 -64.94 -41.36 95.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.549 0.214 . . . . 0.0 111.101 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . 0.423 ' HB1' ' HG3' ' A' ' 889' ' ' ARG . . . -65.87 -41.8 91.17 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.502 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.05 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.834 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.654 ' HA ' HG22 ' A' ' 823' ' ' VAL . 94.8 mttt -54.25 -49.76 68.78 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.05 177.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.15 -44.67 59.52 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.596 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.63 -28.74 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.062 0.458 . . . . 0.0 111.477 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.565 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -78.9 -66.06 0.91 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.826 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.51 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -58.89 -37.52 76.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -107.12 85.54 2.07 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.6 Cg_exo -62.92 -36.99 57.22 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.608 2.205 . . . . 0.0 112.352 -171.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.56 -30.7 57.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.78 -171.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 19.2 p -61.58 110.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 111.644 -174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -71.58 -28.33 63.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.726 -174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.35 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.093 0.473 . . . . 0.0 110.124 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.25 -44.36 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.4 mm-40 -57.88 -46.34 85.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -58.56 -50.73 72.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.533 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.423 ' HG3' ' HB1' ' A' ' 873' ' ' ALA . 16.8 ptm180 -69.53 -28.98 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.027 -177.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.97 -46.5 84.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.519 0.2 . . . . 0.0 110.678 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.5 mtt180 -57.9 -46.66 84.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.25 -38.87 85.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.65 -45.83 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.14 98.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.53 -39.11 88.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.509 176.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.07 85.85 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.904 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.09 -46.62 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.647 ' HB2' HG21 ' A' ' 809' ' ' THR . 29.1 ttp180 -59.56 -46.39 89.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 46.4 tpp -61.12 -43.72 98.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.652 HG21 ' HB ' ' A' ' 805' ' ' ILE . 39.5 m -64.73 -50.56 66.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.015 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -51.47 -51.27 56.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.712 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -66.1 -41.76 90.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.292 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.13 69.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.912 0.387 . . . . 0.0 111.201 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.792 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -65.98 -51.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.87 -22.04 59.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.561 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 5.6 t-20 -61.35 -21.94 64.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.807 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.402 ' HB2' ' CG ' ' A' ' 798' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.07 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 . . . . . 0 C--O 1.223 -0.314 0 CA-C-O 120.375 0.131 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.41 -42.47 78.95 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.424 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -63.16 -45.81 90.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.106 0.479 . . . . 0.0 110.376 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . 0.442 ' HB1' ' HG ' ' A' ' 836' ' ' LEU . . . -64.72 -44.01 91.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.473 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.664 HG21 ' HB2' ' A' ' 905' ' ' ALA . 22.9 p -72.56 -38.21 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.574 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.98 -41.7 83.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.686 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 808' ' ' VAL . 34.2 m -58.09 -52.32 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.295 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.683 HG23 HD22 ' A' ' 829' ' ' LEU . 80.5 mt -59.43 -49.71 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.36 -39.88 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.487 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.4 m -75.22 -43.98 48.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.35 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 804' ' ' THR . 79.6 t -65.18 -37.06 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.039 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 898' ' ' ARG . 92.2 m -55.78 -52.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.34 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.76 -26.12 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 3.8 m-80 -68.78 -26.91 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.873 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.483 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.8 mp -63.72 -41.71 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . 0.431 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 92.3 m-85 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.2 t -78.09 -34.76 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -83.81 -3.77 58.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.563 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 83.6 mtp -50.15 116.55 1.9 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.018 0.437 . . . . 0.0 111.394 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.76 -39.7 1.71 Allowed Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -104.06 123.01 46.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.745 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.37 -54.8 27.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.996 -174.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.25 80.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.048 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.64 -47.92 61.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.665 -0.315 . . . . 0.0 111.066 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.601 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 85.9 mtp -62.11 -40.71 96.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.991 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.02 -35.81 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.412 ' O ' HG13 ' A' ' 828' ' ' ILE . 25.1 ttm-85 -56.86 -50.87 71.15 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.078 0.466 . . . . 0.0 110.596 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.449 HE21 HG13 ' A' ' 808' ' ' VAL . 15.6 mm100 -62.42 -39.29 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.021 -176.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.26 86.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.027 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -65.27 -41.58 94.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 824' ' ' ARG . 65.9 mt -60.01 -42.31 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.277 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.683 HD22 HG23 ' A' ' 805' ' ' ILE . 90.2 mt -63.84 -44.38 93.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -79.64 -48.5 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.8 81.83 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.43 HG21 ' OG1' ' A' ' 867' ' ' THR . 52.9 m -60.27 -37.1 79.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.6 t -58.55 -50.74 72.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.4 -36.53 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -66.92 -49.35 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 177.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.556 HG13 ' HB1' ' A' ' 860' ' ' ALA . 54.7 t -57.93 -41.39 79.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.208 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -57.74 -44.97 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.397 . . . . 0.0 110.401 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.57 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.924 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 836' ' ' LEU . 68.4 mt -58.39 -45.5 89.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.84 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.2 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.3 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.836 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -35.92 64.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.165 173.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . 0.445 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -61.09 -43.94 98.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.59 -20.57 59.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.416 . . . . 0.0 110.567 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -100.66 4.0 56.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.439 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.63 132.64 34.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 44.8 m -85.89 -17.92 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.259 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.76 122.38 28.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.824 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 850' ' ' LEU . 0.3 OUTLIER -70.34 -46.38 64.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.404 -171.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.45 -36.03 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.252 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.534 ' HA ' ' HD3' ' A' ' 855' ' ' LYS . 65.7 t30 -73.02 -31.24 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.0 t -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 854' ' ' ARG . 44.8 mtt180 -65.49 -45.37 83.89 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.913 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 10.1 mtpm? -55.53 -48.0 75.41 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.672 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 844' ' ' ALA . 93.8 mt -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.039 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.28 -45.14 95.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.359 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 26.2 p -67.14 -39.61 86.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.873 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.48 96.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.52 0.2 . . . . 0.0 110.701 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.81 -40.18 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.75 -39.93 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.845 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 88.7 mt -67.45 -47.72 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.093 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -57.58 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.883 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.73 -34.03 67.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 0.0 110.845 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.01 -42.39 26.67 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.723 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.04 68.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 871' ' ' VAL . 22.8 m -67.74 -52.84 32.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.22 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.36 -40.71 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.795 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -57.48 -48.05 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 15.9 ptm -77.25 -30.24 54.35 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.343 -175.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 867' ' ' THR . 70.3 t -65.1 -48.23 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.652 0.263 . . . . 0.0 110.396 177.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 10.8 mm-40 -63.57 -38.57 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.496 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.21 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.783 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.99 99.13 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -53.81 -50.57 65.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.015 0.436 . . . . 0.0 110.594 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.09 86.24 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.874 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.8 -29.64 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.259 0.552 . . . . 0.0 111.388 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.09 -62.91 1.45 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.133 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . 0.574 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -60.57 -31.79 70.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.191 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -106.62 82.5 1.03 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.7 Cg_exo -67.24 -29.52 38.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.718 2.278 . . . . 0.0 112.064 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.6 -30.91 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.97 -175.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.8 t -66.11 107.15 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 -176.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.31 -27.0 52.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.141 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 39.6 tt0 -63.71 -41.15 98.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.145 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.34 -34.28 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.662 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 64.5 mm-40 -64.02 -45.56 88.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.992 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -64.81 -42.79 94.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.871 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 58.8 mtp180 -56.64 -42.88 79.64 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 109.976 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.483 HD21 ' CG2' ' A' ' 812' ' ' ILE . 57.0 tp -63.45 -47.71 80.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.885 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 65.7 mtp180 -51.12 -53.68 32.06 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.296 0.372 . . . . 0.0 110.934 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -56.03 -51.14 68.86 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.343 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.42 74.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.769 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.69 76.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.3 -36.43 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.03 96.64 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.552 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.96 -38.94 93.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.561 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.54 ' HB2' HG21 ' A' ' 809' ' ' THR . 56.0 ttt180 -62.35 -46.53 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 109.583 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.08 -41.76 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.068 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.223 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.439 HG21 ' HB ' ' A' ' 805' ' ' ILE . 40.1 m -62.63 -46.89 86.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 31.9 t-20 -62.08 -32.23 72.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.285 0.564 . . . . 0.0 110.065 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -74.46 -41.2 61.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.83 -27.6 68.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.186 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.664 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -58.82 -36.78 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.186 175.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -78.41 -22.86 47.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.198 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -72.25 -6.99 46.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.704 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.888 178.39 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . 0.446 ' HD2' ' HB2' ' A' ' 908' ' ' ALA . 23.0 m-85 . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.672 0.272 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -68.07 -41.65 81.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.604 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -73.56 -49.14 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.9 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 33.7 p -68.64 -42.63 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -49.78 -48.16 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 808' ' ' VAL . 30.2 m -57.56 -51.17 70.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.067 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.569 ' HB ' HG21 ' A' ' 901' ' ' THR . 78.7 mt -62.6 -46.81 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.623 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 806' ' ' LEU . 1.3 mm? -52.17 -44.22 64.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.702 0.286 . . . . 0.0 111.225 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . 0.554 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 26.9 m -76.29 -43.93 39.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.018 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.577 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 84.9 t -63.05 -28.81 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 O-C-N 122.118 -0.364 . . . . 0.0 110.781 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 898' ' ' ARG . 53.9 m -54.53 -52.79 60.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.096 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.84 ' HB3' HH22 ' A' ' 898' ' ' ARG . 10.0 pt-20 -67.44 -24.51 65.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.788 -176.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.577 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.4 m-20 -59.92 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.433 HG21 HD11 ' A' ' 890' ' ' LEU . 2.9 mp -61.41 -36.11 70.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.82 0.343 . . . . 0.0 110.37 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -75.69 -28.56 58.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.5 m -76.68 -40.26 49.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.216 0.531 . . . . 0.0 110.151 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.581 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 18.9 m -82.14 -3.71 55.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.594 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.7 ttm -56.2 123.2 13.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.063 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.79 -36.61 2.09 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . 0.471 ' OD2' ' HG2' ' A' ' 821' ' ' GLU . 16.6 t70 -108.63 131.79 54.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.799 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -65.21 -55.97 15.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.583 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.41 -40.77 78.28 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.35 -0.453 . . . . 0.0 113.235 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 815' ' ' SER . 39.5 mm-40 -62.6 -50.59 70.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 111.207 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.6 mtp -63.33 -41.7 98.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.412 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 875' ' ' LYS . 99.2 t -64.54 -39.33 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 828' ' ' ILE . 36.8 ttp-105 -64.3 -41.94 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.778 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 82.8 mm-40 -61.74 -41.82 98.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.652 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -62.69 -40.21 96.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -64.93 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 824' ' ' ARG . 84.7 mt -61.59 -44.04 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.955 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.417 HD22 HG23 ' A' ' 805' ' ' ILE . 49.0 mt -58.07 -46.36 85.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.068 176.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.401 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.83 -45.43 90.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.952 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.68 -46.72 84.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.35 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.271 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.519 HG21 ' OG1' ' A' ' 867' ' ' THR . 99.3 m -63.49 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.771 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.2 m -61.39 -33.27 73.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.52 -50.05 72.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.811 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 805' ' ' ILE . 20.4 mt -64.34 -47.3 79.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.759 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 833' ' ' THR . 80.1 t -51.99 -47.65 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.728 0.299 . . . . 0.0 110.718 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -72.47 -44.31 62.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.73 78.55 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.23 -43.53 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -67.3 -37.83 84.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.868 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.64 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.74 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.93 -33.09 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.321 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.98 68.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -73.15 -26.77 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.648 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -94.01 -17.88 39.11 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.803 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.12 118.95 11.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.909 0.385 . . . . 0.0 110.359 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.3 p -84.28 -15.73 45.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.712 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.52 115.87 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 850' ' ' LEU . 21.3 tp -65.83 -43.04 89.71 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.439 -173.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.7 -45.02 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.392 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . 0.464 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.4 t30 -68.61 -33.5 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 24.9 t -63.58 -47.91 79.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.31 -41.32 93.24 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.681 174.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -66.99 -42.29 85.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.332 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 90.0 mt -64.8 -43.06 94.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.438 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.24 -42.74 99.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 22.7 t -60.59 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.412 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.7 77.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.33 92.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.945 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.98 -53.07 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.587 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.74 -44.43 90.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.751 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.448 ' HA ' ' HB1' ' A' ' 900' ' ' ALA . 12.7 tp -60.19 -55.75 30.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.333 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.68 55.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.53 -39.83 21.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.72 -36.97 72.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.519 ' OG1' HG21 ' A' ' 833' ' ' THR . 8.0 m -68.68 -46.16 69.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.331 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.41 77.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.794 -0.185 . . . . 0.0 111.027 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -65.31 -39.13 92.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.648 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.3 tpt -62.44 -53.54 53.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.105 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.519 ' HA ' ' HB1' ' A' ' 826' ' ' ALA . 55.2 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.56 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.99 -38.43 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.173 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.31 84.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.493 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.3 86.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.745 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.618 ' HA ' HG22 ' A' ' 823' ' ' VAL . 57.7 mtpt -57.27 -44.35 83.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.5 -43.38 61.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.46 64.72 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.076 0.465 . . . . 0.0 111.106 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.799 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -81.27 -61.46 1.94 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.8 78.07 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 -175.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -106.64 81.13 0.82 Allowed Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -61.5 -36.41 77.09 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.637 2.225 . . . . 0.0 112.724 -168.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.05 -13.76 59.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.356 -173.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 70.3 m -72.05 103.5 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -174.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.35 -42.14 90.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.783 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 1.8 mp0 -53.03 -50.07 64.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.664 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.54 -36.73 83.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.847 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -58.96 -50.57 73.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.429 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 58.4 tp60 -59.06 -44.74 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 86.5 mtt180 -57.74 -40.69 80.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.678 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.433 HD11 HG21 ' A' ' 812' ' ' ILE . 54.9 tp -65.18 -43.7 90.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.127 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 98.3 mtt180 -55.85 -51.1 68.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.29 -28.85 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.29 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -72.23 -45.12 61.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.267 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.99 -44.58 96.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.242 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.61 -34.8 77.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.596 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.07 -37.47 87.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.64 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . 0.551 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.7 tm? -66.78 -45.98 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.84 HH22 ' HB3' ' A' ' 810' ' ' GLU . 28.7 ttm180 -60.57 -44.31 96.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.09 -45.55 92.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.909 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -64.74 -45.8 84.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.569 HG21 ' HB ' ' A' ' 805' ' ' ILE . 51.2 m -63.75 -45.93 87.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.886 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 27.8 t-20 -61.75 -39.42 91.54 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.96 98.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.724 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' A' ' 907' ' ' ASN . . . -63.05 -29.09 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.086 0.469 . . . . 0.0 110.439 175.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -67.94 -32.95 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.817 177.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -78.1 -37.73 45.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.244 173.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 904' ' ' ALA . 13.7 m-80 -59.43 -27.02 65.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.05 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . 0.446 ' HB2' ' HD2' ' A' ' 798' ' ' TYR . . . . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.199 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 . . . . . 0 CA--C 1.519 -0.217 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -68.43 -30.19 69.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.049 -169.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -70.68 -40.17 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.96 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.669 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.588 HG21 ' HB2' ' A' ' 905' ' ' ALA . 22.1 p -68.94 -35.67 77.07 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.41 -45.7 73.01 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.0 m -59.37 -54.21 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.587 HG23 HD22 ' A' ' 829' ' ' LEU . 80.4 mt -60.5 -48.9 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.24 -48.21 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.3 m -68.7 -45.28 72.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.484 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.734 HG13 HE21 ' A' ' 825' ' ' GLN . 80.2 t -61.91 -35.07 65.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 0.0 110.561 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.76 HG21 ' HB2' ' A' ' 898' ' ' ARG . 85.8 m -67.26 -49.2 65.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.83 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.09 -25.52 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.794 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -70.46 -21.69 62.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.716 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 816' ' ' MET . 19.2 mm -60.59 -49.63 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 109.663 176.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . 0.407 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 40.8 m-85 -64.2 -28.31 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.69 -178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.0 m -78.08 -31.97 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.1 m -82.84 -11.52 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.489 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.643 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 87.4 mtp -51.42 120.82 5.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.293 0.568 . . . . 0.0 111.263 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.84 -28.18 5.49 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.59 111.0 21.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.449 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.72 -54.24 34.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.844 -172.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.32 -33.27 74.97 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.251 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.1 mm-40 -67.0 -51.8 50.56 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.59 -0.359 . . . . 0.0 110.645 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.643 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.7 mtp -58.25 -43.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.334 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.0 t -63.55 -42.79 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 828' ' ' ILE . 11.8 ttm180 -59.07 -50.08 75.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.734 HE21 HG13 ' A' ' 808' ' ' VAL . 15.6 mm100 -62.23 -34.56 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.41 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 22.2 mtm180 -68.7 -31.75 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 825' ' ' GLN . 69.3 mt -63.31 -41.42 92.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.742 175.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.587 HD22 HG23 ' A' ' 805' ' ' ILE . 48.1 mt -61.9 -45.69 92.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.631 176.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.63 85.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.746 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.46 -53.78 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.778 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.13 97.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.727 -177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.554 HG21 ' OG1' ' A' ' 867' ' ' THR . 98.2 m -61.21 -40.22 93.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.6 m -63.25 -40.56 97.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.607 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.23 -37.81 84.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -69.2 -48.65 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.025 -178.568 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.68 HG13 ' HB1' ' A' ' 860' ' ' ALA . 92.2 t -57.47 -41.42 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.582 -177.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.64 -41.71 91.11 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.69 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.56 85.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.845 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 836' ' ' LEU . 73.3 mt -59.77 -49.77 82.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.826 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 98.3 mttt -61.55 -51.51 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.825 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.94 75.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.911 0.386 . . . . 0.0 111.396 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -78.14 -34.3 49.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 0.0 110.175 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.93 99.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.637 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 845' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.1 mt-10 -67.33 -34.77 78.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.249 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -73.89 -22.02 78.55 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.437 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.87 129.29 39.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 18.5 m -76.63 -26.24 54.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.498 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.3 109.8 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.88 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.741 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.42 -47.25 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.333 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.24 -36.01 82.68 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 23.5 t -60.49 -49.72 76.44 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -60.45 -47.83 84.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.168 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -60.08 -40.77 90.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.472 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -44.73 88.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.716 0.293 . . . . 0.0 110.553 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.53 -38.49 91.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 51.0 m -66.25 -46.09 78.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.35 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.58 97.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.68 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.72 -39.83 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.747 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.13 -48.89 69.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.481 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.1 -44.2 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.445 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.415 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.7 tp -62.88 -57.77 9.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.311 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.99 -25.86 59.12 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.254 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.49 -40.89 17.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.68 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.26 69.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.554 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.3 m -65.74 -49.36 68.71 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.188 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.62 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.763 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.84 -41.73 98.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.561 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.539 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.8 OUTLIER -64.72 -56.23 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.768 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.36 -48.03 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.899 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.81 -28.84 67.11 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.225 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -74.35 -43.36 56.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.88 99.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.964 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -56.41 -38.32 71.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.111 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -80.48 -41.77 11.03 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 877' ' ' ALA . . . . . 0.481 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -67.54 -34.5 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.151 0.5 . . . . 0.0 111.247 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 878' ' ' ALA . . . . . 0.451 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -74.06 -62.43 1.51 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.016 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.46 72.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -107.1 80.66 0.85 Allowed Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 169.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.82 -26.38 38.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.469 2.113 . . . . 0.0 112.283 -171.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.19 -30.82 58.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.605 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 883' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.6 m -68.83 104.06 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.543 -174.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.17 -30.08 69.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.131 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.0 -42.97 81.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 110.08 176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 886' ' ' GLN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 13.7 mm100 -67.08 -43.45 82.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 887' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 17.1 mm-40 -62.09 -44.17 97.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.51 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 888' ' ' GLN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 25.8 tp60 -60.36 -41.52 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -60.98 -45.57 94.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.339 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 890' ' ' LEU . . . . . 0.425 HD11 ' HE2' ' A' ' 870' ' ' MET . 63.8 tp -64.46 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.461 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 891' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.6 mtt180 -48.13 -51.96 22.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.072 0.463 . . . . 0.0 110.693 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -80.51 -34.36 35.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.986 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 893' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.28 -48.17 62.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.584 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 894' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -70.56 -43.33 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.69 0.281 . . . . 0.0 110.779 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.89 -38.59 89.15 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -62.71 -38.04 95.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.742 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.46 -47.67 83.0 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 898' ' ' ARG . . . . . 0.76 ' HB2' HG21 ' A' ' 809' ' ' THR . 25.0 ttp180 -61.45 -43.92 98.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 178.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -59.73 -47.72 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.846 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.66 96.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.883 0.373 . . . . 0.0 111.037 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 901' ' ' THR . . . . . 0.577 HG21 ' HB ' ' A' ' 805' ' ' ILE . 42.3 m -64.35 -46.52 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.137 0.494 . . . . 0.0 110.688 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 902' ' ' ASN . . . . . 0.529 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 34.4 t-20 -62.27 -41.27 98.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.754 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.55 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.71 -29.5 70.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.289 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 905' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -63.91 -36.68 84.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.974 176.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -78.12 -25.36 47.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 111.022 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.17 -15.87 58.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.759 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.396 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.756 179.356 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 44.8 mm 57.36 79.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.786 0.803 . . . . 0.0 109.454 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.79 145.61 30.95 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 114.964 -1.016 . . . . 0.0 110.98 -171.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -84.09 25.54 0.69 Allowed 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.907 2.405 . . . . 0.0 111.768 176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -87.47 102.75 14.86 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.229 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.5 m 60.55 32.87 20.52 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.628 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -103.42 -71.15 0.74 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.276 -176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 36.3 t-80 -100.95 -28.77 12.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.642 0.734 . . . . 0.0 109.101 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -145.98 -177.73 5.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.137 176.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 20.1 m -81.85 78.09 8.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.322 0.582 . . . . 0.0 110.634 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 72.26 -176.54 41.05 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.376 -0.829 . . . . 0.0 112.261 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . 0.415 ' O ' ' HD3' ' A' ' 794' ' ' PRO . . . -141.71 81.97 1.79 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.43 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -98.56 107.7 3.48 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.36 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.43 ' HD3' ' HA2' ' A' ' 793' ' ' GLY . 44.2 Cg_endo -97.5 178.97 0.42 Allowed 'Trans proline' 0 N--CA 1.448 -1.177 0 C-N-CA 124.138 3.225 . . . . 0.0 112.695 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 60.82 -163.66 0.25 Allowed 'General case' 0 C--O 1.233 0.191 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.895 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -140.37 -74.96 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.721 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.716 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.996 ' HB3' ' HB1' ' A' ' 908' ' ' ALA . 13.0 tpp180 -153.47 -48.03 0.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.838 0.352 . . . . 0.0 110.983 178.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.458 ' CZ ' HG12 ' A' ' 840' ' ' ILE . 15.5 m-85 -106.16 16.14 25.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.239 -177.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -66.26 -41.0 90.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.969 -0.559 . . . . 0.0 112.418 -165.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -63.31 -42.11 99.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.715 0.293 . . . . 0.0 110.72 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . 0.554 ' HB3' HD21 ' A' ' 836' ' ' LEU . . . -76.95 -40.5 46.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.273 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.2 p -65.68 -39.51 91.39 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.584 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -54.47 -44.94 73.03 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.203 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.487 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.8 m -58.79 -54.11 50.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.456 176.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.693 ' HB ' HG21 ' A' ' 901' ' ' THR . 74.2 mt -60.72 -50.17 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.697 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -55.5 -38.33 69.02 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.607 0.241 . . . . 0.0 111.325 179.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.6 m -76.74 -50.08 14.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.485 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.589 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 86.3 t -61.07 -32.57 53.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.301 -176.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 71.1 m -53.34 -47.58 69.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.043 0.449 . . . . 0.0 111.258 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -61.95 -26.86 68.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.151 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.589 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 89.6 m-20 -67.98 -28.58 67.56 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.473 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.594 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -67.5 -37.02 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.04 0.447 . . . . 0.0 110.382 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -73.71 -28.04 61.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.101 0.476 . . . . 0.0 110.199 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 25.4 t -76.33 -42.74 43.95 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.792 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 31.8 p -80.69 -7.35 59.3 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.191 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.708 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.7 ttm -48.02 110.56 0.34 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.137 -176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.41 -32.13 2.88 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.0 t70 -101.31 110.36 22.35 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 175.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.747 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.76 -52.58 59.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.378 -172.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.72 -46.12 76.36 Favored Glycine 0 CA--C 1.522 0.495 0 CA-C-N 116.021 -0.536 . . . . 0.0 113.271 178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 37.9 tt0 -72.11 -35.51 69.18 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.949 0.375 . . . . 0.0 111.409 -177.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.708 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 81.2 mtp -62.67 -49.83 73.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 111.012 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.56 HG22 ' HA ' ' A' ' 875' ' ' LYS . 56.1 t -62.73 -34.92 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.382 . . . . 0.0 110.097 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.45 ' HB3' ' O ' ' A' ' 821' ' ' GLU . 40.2 ttm180 -55.19 -47.31 75.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.864 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.594 ' HB2' HG13 ' A' ' 812' ' ' ILE . 72.3 mm-40 -64.3 -40.07 95.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.74 93.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.052 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.1 mtt180 -61.9 -36.05 80.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.319 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.1 mt -66.43 -43.09 91.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.237 177.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.634 HD22 HG23 ' A' ' 805' ' ' ILE . 28.0 mt -60.03 -46.22 90.25 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.772 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.94 -48.09 82.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.559 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -58.47 -49.76 76.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.719 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.08 94.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.479 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.549 HG23 ' HG ' ' A' ' 863' ' ' LEU . 87.9 m -64.44 -36.61 84.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.491 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.2 m -60.13 -36.78 78.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -61.61 -47.38 85.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.969 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.554 HD21 ' HB3' ' A' ' 801' ' ' ALA . 49.7 mt -68.34 -46.2 70.81 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.213 -177.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 833' ' ' THR . 92.0 t -52.23 -44.17 40.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.958 0.409 . . . . 0.0 111.081 -177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -76.4 -33.01 58.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.036 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -71.38 -50.66 29.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.458 HG12 ' CZ ' ' A' ' 798' ' ' TYR . 73.5 mt -54.09 -40.83 47.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.405 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -57.97 -51.78 68.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.829 0.347 . . . . 0.0 111.106 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.25 -34.9 77.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.23 -35.81 71.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.251 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.02 96.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.805 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.3 -17.14 63.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.702 179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.5 -19.44 62.08 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.083 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.452 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 5.9 tp10 -72.08 145.46 48.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.505 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 11.2 t -97.0 36.87 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.907 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.452 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 23.8 t70 -143.71 133.84 24.32 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.026 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.611 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -68.06 -56.09 10.15 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.486 -178.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -58.68 -45.7 88.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.833 -175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -65.44 -35.48 81.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.357 -179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 22.9 t -67.5 -43.49 80.78 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 79.8 mtp180 -61.11 -40.14 92.65 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.376 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -63.38 -45.59 90.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.736 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 73.2 mt -61.12 -48.76 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.67 -38.4 78.1 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.77 177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.8 t -68.53 -43.11 77.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.348 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.58 90.23 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.058 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.79 99.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.992 0.425 . . . . 0.0 110.601 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -63.7 -42.6 97.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.749 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.34 -49.25 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.178 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.549 ' HG ' HG23 ' A' ' 833' ' ' THR . 12.1 tp -57.15 -56.87 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.6 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.93 -29.21 55.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.653 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.86 -37.56 19.04 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.355 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.63 -38.6 75.28 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 174.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 7.6 m -68.12 -47.91 66.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.066 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.32 -47.61 78.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.729 0.3 . . . . 0.0 111.135 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.42 -43.03 95.66 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.633 177.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.464 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.6 OUTLIER -59.24 -55.78 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.47 179.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.484 HG12 ' HE3' ' A' ' 875' ' ' LYS . 53.7 t -57.06 -44.92 83.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.617 -177.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -62.67 -38.29 89.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.708 0.29 . . . . 0.0 111.102 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.98 -40.07 72.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.543 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.89 97.24 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.56 ' HA ' HG22 ' A' ' 823' ' ' VAL . 96.7 mttt -54.97 -50.09 69.8 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-O 120.916 0.388 . . . . 0.0 110.638 176.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.4 -41.58 77.11 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.871 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.524 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.01 -26.66 65.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.134 0.492 . . . . 0.0 110.88 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.747 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -79.55 -61.42 2.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.563 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.4 75.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -106.54 82.03 0.94 Allowed Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 168.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -63.75 -51.49 2.37 Favored 'Trans proline' 0 CA--C 1.53 0.315 0 C-N-CA 122.779 2.319 . . . . 0.0 113.578 -167.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.66 -17.49 59.11 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -172.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 61.5 m -59.41 123.76 17.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.352 0.596 . . . . 0.0 112.186 -174.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -66.43 -54.55 22.89 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.756 -173.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 889' ' ' ARG . 46.6 mt-10 -59.75 -39.69 85.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.351 -176.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.524 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 13.9 mm100 -60.04 -42.95 95.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.785 177.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.8 mm-40 -65.41 -47.82 74.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.536 176.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -58.95 -49.2 78.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.859 -177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 885' ' ' GLU . 16.0 ptp180 -62.56 -34.34 76.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.562 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 55.3 tp -64.28 -46.25 84.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.566 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.9 mtt180 -53.01 -49.12 66.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -74.01 -40.95 62.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.457 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.25 -41.55 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.701 0.286 . . . . 0.0 111.134 -179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . 0.464 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -66.73 -43.35 84.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.945 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . 0.578 ' O ' ' HG2' ' A' ' 899' ' ' MET . 44.8 mt-10 -67.58 -35.04 78.24 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.491 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.18 -43.37 98.72 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.512 174.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.472 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -62.14 -39.26 92.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.85 174.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -62.83 -45.16 93.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.228 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . 0.578 ' HG2' ' O ' ' A' ' 895' ' ' GLU . 26.4 mmt -60.41 -53.88 52.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.838 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.33 84.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.524 -177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.693 HG21 ' HB ' ' A' ' 805' ' ' ILE . 56.8 m -65.64 -45.54 82.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.204 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.467 ' HB2' HD11 ' A' ' 806' ' ' LEU . 64.0 t30 -65.6 -31.11 71.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.2 0.524 . . . . 0.0 110.18 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -71.15 -46.45 61.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.649 175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.58 -36.82 74.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.025 0.441 . . . . 0.0 110.125 176.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.357 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -75.3 -37.43 60.85 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.394 -174.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -82.31 -4.97 58.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.874 -175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.996 ' HB1' ' HB3' ' A' ' 797' ' ' ARG . . . -49.95 127.77 17.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.199 -178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 0.498 ' O ' ' HB2' ' A' ' 797' ' ' ARG . 49.9 mm -71.14 110.19 3.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 121.315 0.579 . . . . 0.0 111.802 -178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -114.03 151.15 32.89 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.689 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp . . . . . 0 C--O 1.247 0.938 0 CA-C-O 117.807 -1.092 . . . . 0.0 110.688 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 48.2 mm -71.13 109.6 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.866 0.333 . . . . 0.0 110.211 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -107.04 95.86 13.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.77 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.69 165.16 32.16 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.579 2.186 . . . . 0.0 112.173 -177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -64.62 128.09 34.3 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 18.4 m 61.36 66.97 0.82 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.531 0.682 . . . . 0.0 110.396 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -73.53 136.43 44.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.236 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -88.66 92.88 9.37 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.787 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -117.03 -39.87 3.18 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.381 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 28.4 m -72.29 109.01 5.73 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.213 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 73.16 33.6 59.09 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.914 -0.584 . . . . 0.0 112.079 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -79.02 164.15 24.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.958 0.409 . . . . 0.0 111.265 -178.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -101.35 -148.44 21.63 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.697 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -90.68 111.22 0.38 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.041 2.494 . . . . 0.0 112.545 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -80.78 95.99 6.83 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 174.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -82.73 -69.39 1.39 Allowed Glycine 0 N--CA 1.441 -0.999 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.529 ' HA ' ' NE ' ' A' ' 797' ' ' ARG . 3.1 tpm_? -173.65 -39.41 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 120.777 0.322 . . . . 0.0 111.057 -172.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.499 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 3.8 m-85 -108.41 -13.62 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.719 -171.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -68.57 -23.99 64.55 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -167.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -73.91 -48.06 33.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.15 0.5 . . . . 0.0 110.381 174.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -69.48 -36.82 76.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.017 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 11.8 p -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.36 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -51.04 -40.76 59.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.651 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 808' ' ' VAL . 66.1 m -69.3 -48.72 60.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.312 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.73 HD12 HD12 ' A' ' 836' ' ' LEU . 65.5 mt -60.97 -45.21 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.341 -177.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.8 mm? -55.75 -44.73 77.87 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-O 120.644 0.259 . . . . 0.0 110.51 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . 0.445 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 31.1 m -65.15 -47.14 78.1 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.393 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 804' ' ' THR . 60.1 t -62.63 -35.39 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.623 0.249 . . . . 0.0 110.551 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.44 HG21 ' HB2' ' A' ' 898' ' ' ARG . 95.8 m -58.63 -47.96 82.61 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.033 0.444 . . . . 0.0 111.145 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 35.9 mt-10 -59.98 -26.51 66.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.432 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.525 ' HB3' HE21 ' A' ' 825' ' ' GLN . 6.3 m-80 -69.89 -23.13 63.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.798 -175.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.494 ' CG2' HD21 ' A' ' 890' ' ' LEU . 3.0 mp -65.18 -41.99 93.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.492 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -69.28 -27.58 65.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.7 m -76.1 -28.35 57.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.313 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 32.1 m -83.83 -3.48 57.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.492 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.3 mmt -47.54 124.3 6.83 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.157 0.503 . . . . 0.0 111.738 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.36 -67.53 0.54 Allowed Glycine 0 N--CA 1.443 -0.847 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.782 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -86.02 128.97 34.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.884 0.374 . . . . 0.0 110.622 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.503 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.44 -53.94 40.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.606 -176.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.17 -45.41 57.4 Favored Glycine 0 CA--C 1.518 0.268 0 CA-C-N 116.069 -0.514 . . . . 0.0 113.176 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -55.67 -52.24 64.53 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.938 0.399 . . . . 0.0 111.254 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.569 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 84.4 mtp -62.99 -45.15 93.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.284 -176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.581 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 77.3 t -61.18 -41.58 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.032 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.459 ' O ' HG13 ' A' ' 828' ' ' ILE . 40.1 ttp180 -59.67 -46.25 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.822 -179.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.525 HE21 ' HB3' ' A' ' 811' ' ' ASN . 10.2 mm100 -62.88 -39.12 93.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.789 -177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.75 -38.85 89.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.962 175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 18.1 mtp180 -68.54 -38.52 80.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.212 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 824' ' ' ARG . 72.9 mt -62.63 -41.91 94.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.977 175.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 45.1 mt -57.9 -45.96 85.65 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.626 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.03 -45.06 91.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.98 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -66.56 -49.04 67.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.36 96.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.281 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.508 HG21 ' OG1' ' A' ' 867' ' ' THR . 80.3 m -66.72 -34.77 78.58 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 22.6 t -60.7 -40.0 90.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.096 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.11 -42.71 95.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.28 176.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.73 HD12 HD12 ' A' ' 805' ' ' ILE . 4.5 mt -71.04 -49.07 48.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.674 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 833' ' ' THR . 85.4 t -53.65 -46.66 61.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.681 0.277 . . . . 0.0 111.267 -177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -64.49 -39.02 93.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.919 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -70.05 -43.99 70.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.6 mt -58.97 -48.09 87.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.715 0.293 . . . . 0.0 110.785 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.04 -40.44 93.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.019 0.438 . . . . 0.0 110.753 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.44 -38.44 74.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.156 -178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -72.31 -31.39 65.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.985 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.481 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -64.72 -35.51 81.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.891 176.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -67.32 -38.07 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 110.134 177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -71.5 -33.45 64.0 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -55.29 116.82 3.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.867 0.365 . . . . 0.0 110.781 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.3 m -72.99 -23.78 60.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.739 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.442 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 11.9 t70 -75.32 123.77 25.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.015 178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 850' ' ' LEU . 1.3 tm? -68.38 -50.72 51.01 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.407 -173.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.442 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 8.8 pt-20 -65.42 -37.63 87.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.369 . . . . 0.0 110.517 -176.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 49.8 t30 -71.53 -31.2 66.78 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.947 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 t -63.07 -49.62 73.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.178 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -63.15 -36.67 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.391 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.25 -48.99 77.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.645 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 844' ' ' ALA . 92.7 mt -60.81 -47.95 83.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.909 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.09 -38.43 79.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 28.7 m -66.3 -38.73 88.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.572 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.32 -44.81 90.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.467 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.07 -38.44 88.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.873 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.18 -52.9 62.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 73.4 mt -62.94 -44.87 99.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.711 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.7 tp -60.3 -57.25 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.564 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -54.8 -30.64 57.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.873 0.368 . . . . 0.0 111.441 -174.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -85.38 -34.96 21.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.371 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.58 -32.15 72.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.934 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.508 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.1 m -69.79 -45.68 67.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.789 176.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.91 -47.56 80.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.454 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -68.93 -34.42 75.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.901 0.381 . . . . 0.0 110.394 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.516 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.8 tpt -63.86 -48.45 76.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.57 176.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 867' ' ' THR . 55.5 t -59.6 -42.56 88.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.109 179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -65.77 -37.85 87.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.779 0.324 . . . . 0.0 111.056 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . 0.432 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -68.28 -45.36 73.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.57 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.74 98.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.934 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -54.79 -50.91 67.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.854 0.359 . . . . 0.0 110.763 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.61 -42.49 80.39 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.81 -177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.61 -30.3 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.989 0.423 . . . . 0.0 111.223 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -81.23 -62.93 1.52 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.52 -30.77 71.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.266 -174.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -106.99 78.86 0.62 Allowed Pre-proline 0 C--N 1.326 -0.445 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 169.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.67 -35.97 26.64 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.535 2.156 . . . . 0.0 112.547 -169.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -76.55 -6.86 53.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.829 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.55 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 14.5 t -83.86 99.16 10.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.927 0.394 . . . . 0.0 110.407 -177.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.74 -29.76 68.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.161 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.9 OUTLIER -64.42 -40.72 96.29 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.038 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -64.92 -36.33 84.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.993 176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 883' ' ' SER . 68.2 mm-40 -62.73 -41.54 99.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.982 0.42 . . . . 0.0 110.043 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -65.24 -41.7 94.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.585 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 89.3 mtt180 -57.81 -43.76 85.92 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.078 0.466 . . . . 0.0 110.272 176.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 812' ' ' ILE . 58.6 tp -64.21 -41.12 97.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.952 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 80.8 mtp180 -54.1 -52.22 61.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.051 0.453 . . . . 0.0 110.487 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.89 -37.48 79.03 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.384 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.516 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.02 -44.29 73.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.569 0.223 . . . . 0.0 111.283 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.34 -39.19 93.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.708 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.05 -42.75 99.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.382 174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.64 -46.93 90.97 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.401 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -64.28 -45.14 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.878 0.37 . . . . 0.0 110.311 178.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.44 ' HB2' HG21 ' A' ' 809' ' ' THR . 54.1 ttt180 -59.18 -49.26 78.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.119 179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -62.18 -45.14 94.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.096 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.28 86.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.05 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.459 HG21 ' CG2' ' A' ' 805' ' ' ILE . 33.4 m -65.59 -46.75 78.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.987 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 36.0 t-20 -60.88 -38.58 86.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.249 0.547 . . . . 0.0 109.761 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -68.54 -43.76 76.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.812 177.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.92 -31.09 70.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.099 0.476 . . . . 0.0 110.358 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -60.64 -37.47 81.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.707 175.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . 0.532 ' O ' ' HG2' ' A' ' 910' ' ' LYS . 62.8 mm-40 -74.19 -23.74 59.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.64 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -71.14 -6.52 39.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.059 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.414 ' O ' ' HB ' ' A' ' 909' ' ' ILE . . . -82.41 52.32 2.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.608 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 908' ' ' ALA . 78.0 mt 71.81 116.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.198 178.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.532 ' HG2' ' O ' ' A' ' 906' ' ' GLN . 30.6 mmmt -117.64 113.44 21.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.303 176.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.683 176.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.991 -0.443 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 6.5 tp -89.64 117.89 33.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.712 0.292 . . . . 0.0 110.432 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 29.1 t70 66.09 114.21 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.412 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.997 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -56.06 100.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.835 2.356 . . . . 0.0 112.292 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' A' ' 787' ' ' ALA . 45.1 t80 -89.93 68.96 7.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.256 -176.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 26.9 p 57.94 -13.21 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 785' ' ' PHE . . . 56.71 86.78 0.06 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.318 0.647 . . . . 0.0 111.67 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 64.95 27.83 12.67 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.642 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 58.81 -90.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.761 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 12.8 t -85.66 -7.32 58.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.397 0.618 . . . . 0.0 110.578 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 103.89 -127.95 9.32 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.647 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -174.29 -16.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.604 0.24 . . . . 0.0 111.519 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 68.71 -121.86 13.1 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.085 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.64 153.96 52.0 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.623 2.215 . . . . 0.0 111.192 173.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 800' ' ' GLN . . . -72.45 92.23 1.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.801 0.334 . . . . 0.0 111.572 -175.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . 0.545 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . 52.2 -134.35 37.09 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.447 -0.797 . . . . 0.0 113.236 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -123.14 -34.97 3.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.634 0.254 . . . . 0.0 110.819 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.636 ' OH ' ' HB3' ' A' ' 843' ' ' ASP . 4.4 m-85 -123.32 1.85 9.08 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 173.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . 0.545 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 3.1 m-20 -68.83 -34.75 76.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.261 -165.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . 0.639 ' HB2' ' HB3' ' A' ' 795' ' ' ALA . 20.9 tm0? -72.53 -46.24 55.52 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.21 -44.47 91.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.235 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 15.7 p -62.9 -53.3 56.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.99 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -50.7 -42.95 57.6 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 123.362 0.414 . . . . 0.0 110.672 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 808' ' ' VAL . 88.3 m -56.75 -53.14 61.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.702 175.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.876 HD12 HD12 ' A' ' 836' ' ' LEU . 67.2 mt -58.31 -45.12 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.494 ' O ' ' HG3' ' A' ' 810' ' ' GLU . 1.0 OUTLIER -53.12 -50.37 64.61 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.765 0.317 . . . . 0.0 110.633 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.1 m -64.69 -47.6 77.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.567 -179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 804' ' ' THR . 99.1 t -59.57 -39.69 80.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.774 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 88.7 m -55.13 -48.19 74.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.23 0.538 . . . . 0.0 111.411 177.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.494 ' HG3' ' O ' ' A' ' 806' ' ' LEU . 37.3 mt-10 -62.01 -25.72 67.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.714 -177.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -71.33 -25.69 62.51 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -174.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.602 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.8 mp -64.19 -35.92 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-O 121.136 0.493 . . . . 0.0 110.267 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -68.13 -27.23 66.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.183 177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.8 m -78.18 -26.3 47.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.311 175.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 50.6 m -81.18 -4.56 55.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.253 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.8 mmt -49.32 109.76 0.3 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.762 177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 126.03 -25.7 5.46 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.822 -0.704 . . . . 0.0 111.707 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 822' ' ' MET . 11.4 t70 -117.8 106.63 13.21 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.448 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.33 -48.62 77.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.564 -174.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.01 -47.23 60.37 Favored Glycine 0 CA--C 1.519 0.338 0 CA-C-N 116.108 -0.497 . . . . 0.0 113.203 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.419 ' HG3' ' NH1' ' A' ' 824' ' ' ARG . 36.3 tt0 -68.85 -37.18 78.96 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.989 0.394 . . . . 0.0 111.489 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 92.2 mtp -58.42 -43.75 88.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.916 0.388 . . . . 0.0 110.353 178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.433 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 60.9 t -69.89 -36.17 68.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.369 177.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.445 ' O ' HG13 ' A' ' 828' ' ' ILE . 28.9 ttm180 -55.67 -51.93 65.59 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.602 ' HB2' HG13 ' A' ' 812' ' ' ILE . 14.6 mm100 -63.19 -36.15 82.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.125 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.99 95.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.853 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 99.3 mtt180 -61.96 -39.1 90.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.998 0.427 . . . . 0.0 110.266 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 824' ' ' ARG . 62.8 mt -62.36 -41.93 93.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.355 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.492 HD22 HG23 ' A' ' 805' ' ' ILE . 28.8 mt -60.05 -46.22 90.25 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.088 177.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.47 96.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.805 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -64.86 -37.51 87.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.247 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -76.47 -46.69 25.74 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.534 HG21 ' OG1' ' A' ' 867' ' ' THR . 86.1 m -62.62 -36.63 83.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.097 -178.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 95.2 p -61.47 -47.81 83.99 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.387 0.613 . . . . 0.0 109.858 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . 0.464 ' HA ' ' ND2' ' A' ' 838' ' ' ASN . 28.7 t70 -67.83 -34.28 76.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.875 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.876 HD12 HD12 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -63.45 -46.68 85.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.18 178.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 833' ' ' THR . 84.2 t -56.93 -35.42 47.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 835' ' ' ASP . 57.6 m-20 -59.59 -50.5 73.66 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.75 -43.44 96.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.921 -178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.45 HG21 ' HB2' ' A' ' 860' ' ' ALA . 69.6 mt -60.28 -51.01 77.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.813 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -59.83 -46.31 89.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.976 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.97 -37.29 87.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.49 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.636 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.7 t70 -78.42 -29.84 47.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.038 0.447 . . . . 0.0 110.071 -179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.23 85.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.509 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -74.6 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.379 176.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -74.6 -26.35 67.76 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 173.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -74.58 146.99 42.1 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 22.3 m -101.33 -20.71 15.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.499 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -77.95 114.86 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.557 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.3 OUTLIER -61.67 -41.31 97.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.653 -174.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.72 -44.95 88.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.002 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.4 ' O ' ' HB3' ' A' ' 855' ' ' LYS . 66.3 t30 -66.71 -32.06 73.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.085 0.469 . . . . 0.0 109.924 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.0 m -63.12 -44.2 96.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.845 175.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 48.5 mtp180 -63.2 -37.34 86.83 Favored 'General case' 0 CA--C 1.523 -0.086 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.395 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 852' ' ' ASN . 22.7 ttmm -54.33 -52.47 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.475 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 90.8 mt -68.48 -48.71 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.139 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 84.8 mt -59.66 -48.06 83.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.562 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 16.3 t -63.14 -38.87 92.89 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.52 -44.92 95.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 840' ' ' ILE . . . -63.4 -34.88 78.71 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.001 178.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -72.28 -44.16 63.19 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.381 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 85.5 mt -63.8 -44.16 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.167 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 8.0 tp -60.02 -58.08 10.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.446 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.446 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -55.91 -31.95 63.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.1 0.476 . . . . 0.0 111.46 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -83.87 -31.45 25.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.221 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -62.47 -36.89 83.91 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 173.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.534 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.7 m -64.86 -48.72 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.31 177.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.18 -47.77 77.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.336 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.08 -36.05 81.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.783 0.325 . . . . 0.0 110.517 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.54 -51.33 67.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.956 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 867' ' ' THR . 58.9 t -57.9 -46.97 87.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.322 -179.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.31 -39.0 81.65 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 177.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . 0.476 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -70.89 -44.02 67.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.762 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.13 -47.02 86.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -56.1 -45.64 79.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.82 0.343 . . . . 0.0 110.601 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.34 -45.21 56.17 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.929 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -67.26 -27.71 67.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.194 0.521 . . . . 0.0 110.997 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -83.73 -66.75 0.86 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.038 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.554 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.11 -31.41 71.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 -174.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -106.42 83.03 1.08 Allowed Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.554 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 11.8 Cg_exo -69.51 -29.61 24.77 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.698 2.265 . . . . 0.0 112.146 -172.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -76.16 -22.55 55.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.386 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -66.46 111.94 3.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.52 -175.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -72.67 -39.97 66.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.968 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 0.8 OUTLIER -66.28 -33.02 74.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.781 0.324 . . . . 0.0 110.827 -176.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -65.16 -32.67 74.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.8 mm-40 -68.73 -42.48 77.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.579 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.05 -48.67 77.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.578 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.6 mtt180 -57.87 -43.65 86.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.903 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.476 ' HA ' ' HB1' ' A' ' 873' ' ' ALA . 52.3 tp -62.49 -46.29 89.12 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.3 -178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.2 mtm-85 -56.33 -48.96 75.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.877 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -69.59 -40.81 76.48 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.256 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.12 -43.89 81.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.68 0.276 . . . . 0.0 111.296 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.43 -41.13 80.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.105 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -68.91 -30.78 69.32 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.27 -43.01 90.0 Favored Glycine 0 N--CA 1.451 -0.324 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -62.85 -44.58 95.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -57.49 -46.84 83.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.804 176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 45.2 ttp -62.33 -46.05 90.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.343 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.29 -46.5 88.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 111.303 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 805' ' ' ILE . 22.5 m -65.02 -44.17 90.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.503 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.402 ' O ' ' HG3' ' A' ' 906' ' ' GLN . 25.6 t-20 -58.6 -38.34 77.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.069 177.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -64.32 -45.52 87.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.032 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -32.75 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.224 0.535 . . . . 0.0 110.348 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -65.45 -34.91 79.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.758 176.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 902' ' ' ASN . 76.3 mt-30 -76.31 -43.04 43.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.605 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -65.34 -22.6 66.84 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.295 -177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -55.61 115.74 2.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.58 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 0.485 ' H ' HD12 ' A' ' 909' ' ' ILE . 3.0 mp -52.18 104.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.287 0 O-C-N 124.083 0.864 . . . . 0.0 112.473 -169.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -138.13 115.08 10.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.656 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . 0.534 ' HB3' ' NZ ' ' A' ' 911' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.816 -0.612 . . . . 0.0 110.366 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 38.3 mt 54.89 68.67 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.596 0.712 . . . . 0.0 109.431 -176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . 0.489 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 10.9 m-20 -113.46 139.32 23.13 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.614 -173.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 6.0 Cg_exo -77.82 145.75 22.97 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 123.029 2.486 . . . . 0.0 111.166 175.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . 0.466 ' C ' ' H ' ' A' ' 787' ' ' ALA . 50.1 t80 -144.6 162.61 36.19 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -176.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 12.6 p -73.94 32.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.12 0.485 . . . . 0.0 111.452 177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 785' ' ' PHE . . . -72.73 101.48 3.1 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.226 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -88.3 110.01 20.41 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.914 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -70.3 136.62 49.97 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.765 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 54.5 m -75.11 120.66 20.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.672 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 149.02 -40.23 0.9 Allowed Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -113.81 93.43 4.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.019 0.438 . . . . 0.0 110.44 177.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -102.35 161.88 17.02 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.382 178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -64.09 102.68 0.39 Allowed 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.462 2.108 . . . . 0.0 112.018 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -71.17 152.39 43.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.692 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . 0.681 ' HA2' ' HE3' ' A' ' 910' ' ' LYS . . . 60.46 -100.04 0.21 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.104 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.866 ' HB2' ' HB1' ' A' ' 908' ' ' ALA . 44.4 mmt-85 -148.81 -42.57 0.15 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.002 0.429 . . . . 0.0 110.489 174.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -128.63 28.17 5.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.225 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.06 -33.09 74.76 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.328 -174.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -65.83 -50.64 63.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.396 178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.98 -44.11 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.541 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.701 HG22 HD11 ' A' ' 836' ' ' LEU . 21.6 p -62.71 -41.94 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.09 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -51.67 -41.89 61.72 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.004 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.0 m -58.56 -51.07 71.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.425 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.74 HD12 HD12 ' A' ' 836' ' ' LEU . 43.5 mt -66.05 -50.85 66.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.763 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.6 mm? -52.98 -41.21 64.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.091 -178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 88.6 m -71.05 -52.81 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.675 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.467 HG11 ' HB ' ' A' ' 828' ' ' ILE . 87.8 t -63.96 -36.2 75.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 -174.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.629 HG21 ' HB2' ' A' ' 898' ' ' ARG . 98.3 m -55.2 -54.11 47.44 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 807' ' ' THR . 11.4 pt-20 -62.28 -25.33 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.845 0.355 . . . . 0.0 110.679 -177.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -67.54 -21.52 65.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.713 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.6 mp -65.58 -33.07 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.26 0.552 . . . . 0.0 109.963 175.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -75.57 -27.37 58.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.691 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.3 m -76.62 -37.73 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.52 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.8 p -82.84 -4.57 58.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.355 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.535 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -51.94 107.73 0.22 Allowed 'General case' 0 C--O 1.232 0.143 0 O-C-N 123.608 0.568 . . . . 0.0 110.824 -178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.11 -30.4 3.06 Favored Glycine 0 N--CA 1.443 -0.894 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -98.97 114.04 26.5 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.568 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -52.2 59.33 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.871 -173.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.74 -44.25 97.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.054 -0.593 . . . . 0.0 113.401 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 31.1 tt0 -73.33 -38.16 65.89 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.72 -0.283 . . . . 0.0 111.651 -174.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.535 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 86.6 mtp -60.14 -44.25 95.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.661 HG22 ' HA ' ' A' ' 875' ' ' LYS . 59.9 t -65.54 -39.06 83.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.952 0.406 . . . . 0.0 110.2 177.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 824' ' ' ARG . 21.4 ttt180 -58.57 -45.85 88.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.833 176.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 14.4 mm100 -60.15 -38.93 84.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 179.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.3 86.24 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 98.4 mtt180 -61.06 -39.64 90.62 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.502 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.467 ' HB ' HG11 ' A' ' 808' ' ' VAL . 53.8 mt -64.91 -43.14 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.089 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.42 HD22 HG23 ' A' ' 805' ' ' ILE . 67.6 mt -60.97 -41.91 97.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.015 177.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.73 -50.25 72.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.686 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -62.23 -49.88 73.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.759 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.24 -42.51 91.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.373 -178.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.563 ' HA ' HD11 ' A' ' 805' ' ' ILE . 97.0 m -63.53 -37.5 87.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.531 178.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 25.0 m -61.62 -48.6 80.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.058 0.456 . . . . 0.0 109.996 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -60.83 -42.73 98.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.865 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.74 HD12 HD12 ' A' ' 805' ' ' ILE . 0.6 OUTLIER -63.52 -53.06 57.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.683 -178.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' A' ' 864' ' ' ALA . 79.7 t -56.85 -44.63 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.245 -178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.8 -36.78 85.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.736 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.48 85.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.903 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 836' ' ' LEU . 71.3 mt -63.85 -49.86 80.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.489 177.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 67.7 mttm -55.19 -43.31 74.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.885 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.13 -40.63 96.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.343 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -78.06 -27.59 48.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 110.723 -177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.95 -23.75 66.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.142 0.496 . . . . 0.0 110.368 175.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 13.4 mm-40 -71.75 -21.24 61.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.855 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -80.72 -9.05 86.84 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.151 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -95.84 131.23 42.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.797 0.332 . . . . 0.0 110.2 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 38.9 m -91.06 -11.65 38.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.563 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -80.41 111.32 16.7 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.76 -42.6 93.62 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.209 0.318 . . . . 0.0 111.584 -173.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.68 -38.61 83.95 Favored 'General case' 0 N--CA 1.426 -1.646 0 CA-C-O 121.065 0.459 . . . . 0.0 110.041 -176.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.633 HD21 HG13 ' A' ' 909' ' ' ILE . 64.9 t30 -72.32 -33.88 67.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.188 176.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.457 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 47.3 m -61.28 -51.5 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.078 178.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -67.56 -25.52 65.84 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.748 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -63.42 -51.69 64.7 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.924 0.392 . . . . 0.0 109.996 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.449 HD21 HG12 ' A' ' 909' ' ' ILE . 87.0 mt -61.16 -43.3 99.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.379 176.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.6 mt -61.71 -36.96 82.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.132 178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 66.6 m -65.2 -43.78 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.397 177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.43 -42.87 88.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.686 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.698 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -65.46 -41.46 93.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.096 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -68.32 -41.15 81.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.68 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.04 -45.63 98.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.124 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.55 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -60.0 -57.81 11.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.743 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.727 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.11 -26.71 50.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.254 0.55 . . . . 0.0 111.374 -176.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.1 -35.0 22.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.697 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.73 72.99 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.464 ' OG1' HG21 ' A' ' 833' ' ' THR . 6.2 m -68.6 -41.39 79.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.244 177.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.42 -51.98 66.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.671 0.272 . . . . 0.0 110.494 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . 0.491 ' HG2' ' HB2' ' A' ' 893' ' ' ALA . 24.7 ttmm -57.89 -47.16 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.635 175.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.439 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.3 tpt -54.44 -55.14 31.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.293 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.9 t -57.9 -49.28 81.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.426 -178.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -59.62 -45.91 90.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.746 0.308 . . . . 0.0 111.228 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.64 83.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.014 -178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.98 -46.76 87.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.661 ' HA ' HG22 ' A' ' 823' ' ' VAL . 54.3 mtpt -59.59 -37.99 80.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.745 0.307 . . . . 0.0 111.231 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -75.76 -44.95 18.56 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.694 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.39 -31.46 70.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.119 0.485 . . . . 0.0 110.975 -176.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.568 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -72.28 -63.84 1.07 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.376 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.497 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -55.83 -41.09 73.74 Favored 'General case' 0 N--CA 1.461 0.113 0 O-C-N 123.537 0.523 . . . . 0.0 111.55 -174.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -106.35 88.96 3.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 171.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.9 Cg_exo -57.61 -44.14 44.34 Favored 'Trans proline' 0 CA--C 1.53 0.289 0 C-N-CA 122.866 2.378 . . . . 0.0 112.997 -170.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -76.99 -2.54 34.41 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -173.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 81.3 p -71.54 92.16 1.11 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.559 0.695 . . . . 0.0 110.594 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.79 -28.53 69.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.804 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -65.76 -47.04 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -67.48 -34.65 77.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.48 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 883' ' ' SER . 81.4 mm-40 -60.84 -45.47 94.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.93 0.395 . . . . 0.0 110.437 174.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -69.76 -39.3 76.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.507 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -60.75 -39.61 89.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.267 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.05 -39.25 93.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 176.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -65.8 -25.28 67.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.311 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -80.87 -47.57 13.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.216 0.532 . . . . 0.0 110.472 172.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 869' ' ' LYS . . . -67.25 -51.65 50.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.346 -174.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.973 0.416 . . . . 0.0 111.301 -177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -70.11 -35.6 74.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.727 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -64.88 -42.26 97.04 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.621 -0.8 . . . . 0.0 111.361 173.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.37 -46.15 89.92 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.629 ' HB2' HG21 ' A' ' 809' ' ' THR . 63.5 ttp85 -60.21 -47.94 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.637 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -61.11 -48.83 79.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.442 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.91 87.97 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.087 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.575 HG21 ' HB ' ' A' ' 805' ' ' ILE . 64.0 m -63.65 -49.17 74.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.169 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -59.73 -40.46 88.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.215 0.531 . . . . 0.0 109.812 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . 0.526 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -62.73 -48.98 76.84 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.804 178.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.04 -33.58 75.74 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.826 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.477 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -56.88 -53.43 57.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.121 177.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -78.93 -23.05 44.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.826 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 8.3 t-20 -69.08 -15.86 63.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.027 0.441 . . . . 0.0 110.466 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.866 ' HB1' ' HB2' ' A' ' 797' ' ' ARG . . . -50.1 121.27 5.25 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.671 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 0.633 HG13 HD21 ' A' ' 852' ' ' ASN . 51.3 mm -70.65 118.0 14.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.341 178.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.681 ' HE3' ' HA2' ' A' ' 796' ' ' GLY . 14.3 mmmm -82.77 105.17 13.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.412 -176.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . 0.516 ' HG2' HG22 ' A' ' 909' ' ' ILE . 14.3 mmmm . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.237 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.859 -0.496 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 33.9 pt -117.64 178.44 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.664 0.268 . . . . 0.0 110.594 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -111.83 100.02 47.19 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.533 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -92.69 11.52 2.15 Favored 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.194 2.596 . . . . 0.0 112.082 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -78.75 -45.54 20.91 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.351 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 18.2 m -114.4 73.36 0.82 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.382 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -173.83 97.84 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.424 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -136.16 108.23 7.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.431 0.634 . . . . 0.0 110.474 177.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -146.87 -177.55 5.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.432 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 22.3 m -145.85 120.15 9.59 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.993 0.425 . . . . 0.0 110.41 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -138.23 -145.17 4.79 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 843' ' ' ASP . . . 66.08 113.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 O-C-N 124.033 0.49 . . . . 0.0 112.001 177.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 150.89 -121.31 1.21 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.448 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.63 105.85 2.02 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 122.692 2.261 . . . . 0.0 112.026 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.734 ' H ' ' HA ' ' A' ' 910' ' ' LYS . . . -64.79 132.08 48.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.231 0.539 . . . . 0.0 110.598 176.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -179.68 -36.7 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -178.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -56.87 -41.48 78.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.923 0.868 . . . . 0.0 108.896 170.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.46 ' OH ' ' HB2' ' A' ' 843' ' ' ASP . 26.6 m-85 -72.18 -39.54 68.58 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.337 -1.301 . . . . 0.0 109.726 -177.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -67.44 -41.81 84.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.461 -176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.99 -46.22 71.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.946 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.3 -44.67 82.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.515 -178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.836 HG21 ' HB2' ' A' ' 905' ' ' ALA . 43.1 p -69.21 -37.23 77.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.193 -178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.64 -45.23 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.022 0.439 . . . . 0.0 110.054 176.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 808' ' ' VAL . 30.0 m -61.36 -55.41 31.92 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.632 176.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.7 HG23 HD22 ' A' ' 829' ' ' LEU . 88.0 mt -56.0 -51.29 63.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.395 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.4 mp -52.1 -48.74 64.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.965 0.412 . . . . 0.0 111.086 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -70.44 -42.99 70.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.47 -177.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.482 ' O ' HD12 ' A' ' 812' ' ' ILE . 93.2 t -65.14 -36.69 78.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 O-C-N 122.211 -0.306 . . . . 0.0 110.619 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.577 ' HA ' HD13 ' A' ' 812' ' ' ILE . 81.5 m -56.01 -54.65 42.34 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.778 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -62.23 -25.58 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 0.0 109.897 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -71.6 -20.82 61.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.905 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.577 HD13 ' HA ' ' A' ' 809' ' ' THR . 1.7 mp -58.19 -42.97 84.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -66.5 -34.85 78.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.599 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.3 m -73.42 -30.32 63.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.2 m -83.4 -3.59 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.661 -177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.579 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 82.6 mtp -58.55 103.83 0.18 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 121.303 0.573 . . . . 0.0 111.359 -177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.12 -46.95 0.45 Allowed Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.669 -0.972 . . . . 0.0 110.669 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . 0.429 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.0 t70 -99.0 117.35 33.32 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 172.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.447 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.91 -54.54 33.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.445 -174.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.22 -38.58 78.27 Favored Glycine 0 CA--C 1.521 0.443 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.958 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 35.1 tt0 -69.2 -33.96 74.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -178.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.579 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 77.3 mtp -66.0 -40.97 91.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.977 0.417 . . . . 0.0 110.514 176.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.544 HG22 ' HA ' ' A' ' 875' ' ' LYS . 59.4 t -68.08 -33.89 63.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.187 177.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.432 ' O ' HG13 ' A' ' 828' ' ' ILE . 51.6 ttp180 -53.25 -48.11 68.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.33 175.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.5 -42.89 93.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.368 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -62.7 -37.0 84.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.049 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 88.6 mtt180 -64.12 -38.37 90.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.469 177.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 824' ' ' ARG . 66.6 mt -63.56 -46.38 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.7 HD22 HG23 ' A' ' 805' ' ' ILE . 79.7 mt -61.53 -43.97 97.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.167 179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.72 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.916 0.389 . . . . 0.0 110.772 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -67.2 -49.41 64.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.899 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.84 -43.12 97.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.588 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 837' ' ' VAL . 98.7 m -62.24 -32.41 73.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.02 0.438 . . . . 0.0 110.911 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.1 m -61.07 -38.0 84.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.085 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -64.81 -40.48 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.959 0.409 . . . . 0.0 110.419 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 49.3 mt -64.34 -45.45 87.76 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 833' ' ' THR . 88.3 t -55.61 -40.96 62.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.71 0.291 . . . . 0.0 110.695 -179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -69.28 -45.7 69.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.794 0.331 . . . . 0.0 111.194 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.65 -52.42 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 82.2 mt -56.9 -42.08 77.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.535 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -60.89 -41.37 95.92 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.897 0.379 . . . . 0.0 110.935 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.9 -35.52 72.33 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.077 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.514 ' HB3' HD13 ' A' ' 856' ' ' LEU . 4.8 t70 -62.67 -40.98 98.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 177.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.478 ' HB2' ' HB2' ' A' ' 856' ' ' LEU . . . -64.07 -22.74 67.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.582 179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -80.52 -26.08 38.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -121.63 25.74 6.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.378 -0.915 . . . . 0.0 113.483 -173.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.89 179.3 3.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.267 0.556 . . . . 0.0 111.627 177.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 17.7 m -128.9 23.31 5.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.003 174.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -148.68 130.9 15.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.162 -175.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -41.68 85.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.733 -175.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -64.37 -39.49 93.97 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -58.36 -43.8 88.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.343 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 6.2 t -61.55 -42.42 98.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.09 -178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 854' ' ' ARG . 58.6 mtt180 -68.61 -46.33 69.57 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.14 177.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 31.9 ttmt -56.45 -50.44 71.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.253 -176.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 843' ' ' ASP . 56.2 mt -62.27 -49.8 74.23 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.376 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.5 mt -63.62 -30.16 71.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.77 0.319 . . . . 0.0 111.204 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 60.2 m -73.24 -46.11 52.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.37 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.39 97.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.257 -178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.89 -41.45 96.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.834 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -65.55 -49.67 68.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.15 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.81 -44.78 98.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.828 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 11.3 tp -60.35 -58.13 9.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.362 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.99 -25.64 58.7 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.199 0.523 . . . . 0.0 111.028 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -85.2 -43.57 13.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.682 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.31 -34.73 69.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.029 0.442 . . . . 0.0 109.841 175.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.505 ' O ' HG23 ' A' ' 871' ' ' VAL . 8.3 m -66.16 -54.69 22.26 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.868 176.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.2 76.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.017 0.437 . . . . 0.0 111.185 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -63.61 -41.39 98.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.472 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 6.0 ptm -80.44 -26.82 38.18 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.831 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 867' ' ' THR . 55.7 t -64.98 -50.07 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -63.63 -34.03 76.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.076 0.465 . . . . 0.0 110.708 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -66.96 -45.27 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.413 176.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.68 83.0 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.807 178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.544 ' HA ' HG22 ' A' ' 823' ' ' VAL . 9.0 mtpm? -57.55 -44.38 85.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.585 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.9 -42.2 79.31 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.716 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.458 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -71.12 -29.3 65.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.243 0.544 . . . . 0.0 111.062 -178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.447 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -76.45 -60.92 2.13 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.611 178.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.563 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -61.15 -33.69 73.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.967 -176.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -106.98 84.5 1.6 Allowed Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.3 Cg_exo -69.11 -36.82 11.74 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.957 2.438 . . . . 0.0 112.386 -172.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -77.32 -28.91 53.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.628 -175.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.454 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 36.4 m -65.89 103.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.286 -176.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.34 -25.07 62.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.325 -178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.88 -38.22 87.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.267 0.556 . . . . 0.0 109.626 174.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.458 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 16.0 mm100 -69.57 -37.92 77.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.2 177.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 883' ' ' SER . 61.9 mm-40 -64.93 -41.23 95.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.011 177.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -60.0 -51.59 69.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.998 175.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.229 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.528 HD11 HG21 ' A' ' 812' ' ' ILE . 47.2 tp -59.68 -54.02 51.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.951 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 895' ' ' GLU . 49.7 mtm180 -58.04 -45.07 87.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 123.245 0.341 . . . . 0.0 111.195 -176.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.73 -48.51 78.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.116 0.484 . . . . 0.0 111.487 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.7 -41.01 61.0 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -174.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.91 92.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.648 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 44.0 mt-10 -65.69 -32.9 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.807 0.337 . . . . 0.0 110.436 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.24 -33.75 74.01 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.56 -0.828 . . . . 0.0 111.905 175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.404 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.4 tm? -66.44 -41.61 88.87 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -57.36 -44.84 84.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.662 176.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -52.47 63.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.312 175.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -55.75 -46.14 77.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.005 0.431 . . . . 0.0 111.446 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.52 HG21 ' HB ' ' A' ' 805' ' ' ILE . 35.2 m -65.4 -49.97 67.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.995 179.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 36.1 t-20 -60.23 -41.64 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.295 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.52 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.92 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -57.81 -35.88 71.45 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.867 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.836 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -58.13 -45.24 87.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.069 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 -74.44 -31.94 62.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.753 -178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -66.42 -30.47 70.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.271 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -55.58 124.82 18.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 911' ' ' LYS . 47.1 mm -68.06 126.2 27.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.734 ' HA ' ' H ' ' A' ' 795' ' ' ALA . 24.2 ttmm -110.8 95.82 5.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . 0.516 ' HG3' HG22 ' A' ' 909' ' ' ILE . 42.5 mtmt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.459 -0.782 . . . . 0.0 109.863 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 74.7 mt -99.57 116.8 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -178.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . 0.474 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 27.9 t70 -78.48 119.9 79.03 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.081 177.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 6.5 Cg_exo -73.99 174.44 12.37 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 123.214 2.609 . . . . 0.0 113.071 -176.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 80.5 t80 76.48 -34.01 0.22 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.842 0.857 . . . . 0.0 112.664 175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 13.6 t -73.18 -11.02 60.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.073 0.463 . . . . 0.0 111.069 -177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -77.33 117.48 18.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.299 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -92.3 166.56 12.53 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.292 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -99.89 149.07 23.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.568 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 23.5 m -92.18 -35.06 14.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.116 0.484 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 102.72 -89.07 0.7 Allowed Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.762 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 62.22 27.11 16.28 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.185 0.517 . . . . 0.0 111.047 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -147.57 151.83 24.03 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -65.68 104.8 0.7 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.63 2.22 . . . . 0.0 112.455 -176.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -109.8 8.18 24.44 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.726 0.774 . . . . 0.0 110.542 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -158.0 -63.23 0.01 OUTLIER Glycine 0 C--N 1.309 -0.937 0 CA-C-N 114.649 -1.159 . . . . 0.0 112.202 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -178.64 -69.82 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.616 0.246 . . . . 0.0 110.844 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -101.78 1.79 37.65 Favored 'General case' 0 C--O 1.225 -0.206 0 C-N-CA 121.204 -0.198 . . . . 0.0 110.498 -177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -67.14 -27.68 67.51 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -166.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -72.52 -45.68 58.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.305 0.574 . . . . 0.0 109.882 177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . 0.562 ' HB3' HD21 ' A' ' 836' ' ' LEU . . . -73.6 -38.89 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.245 -178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 32.4 p -63.98 -48.36 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.841 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -55.87 -35.22 66.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.972 0.415 . . . . 0.0 110.071 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 808' ' ' VAL . 47.9 m -59.67 -54.33 47.63 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.126 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.686 HD12 HD12 ' A' ' 836' ' ' LEU . 68.1 mt -58.5 -48.93 83.99 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.012 179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.454 HD12 ' HG3' ' A' ' 898' ' ' ARG . 1.3 mm? -53.14 -47.63 68.56 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 38.8 m -68.19 -39.86 82.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.669 -177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 804' ' ' THR . 85.3 t -66.11 -40.03 86.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.101 177.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.422 HG21 ' HB2' ' A' ' 898' ' ' ARG . 97.0 m -55.54 -55.23 34.32 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.886 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.96 -25.74 65.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.828 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -71.43 -21.57 61.96 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.417 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.1 mp -60.7 -39.19 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.29 176.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -70.44 -27.73 64.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.762 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 19.4 t -78.17 -25.43 47.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.184 0.516 . . . . 0.0 109.702 174.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.2 m -83.11 -3.32 57.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.078 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 12.3 mmt -51.44 105.94 0.12 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.091 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.07 -30.27 3.55 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.934 -0.65 . . . . 0.0 111.64 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -103.48 104.15 14.2 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.557 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.89 -50.82 67.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.494 -173.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -36.77 79.05 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.891 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -70.3 -45.88 65.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.988 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.598 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 87.3 mtp -59.18 -40.0 84.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.674 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.7 -36.04 72.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.687 178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 828' ' ' ILE . 22.6 ttp180 -69.51 -47.7 62.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.347 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -57.53 -39.51 76.75 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.306 0.379 . . . . 0.0 110.891 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.96 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 827' ' ' ARG . 50.7 mtm180 -72.16 -27.5 62.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.794 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.5 mt -69.5 -40.35 79.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.536 HD22 HG23 ' A' ' 805' ' ' ILE . 59.3 mt -59.49 -48.19 82.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.341 174.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.537 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -55.68 -42.29 74.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.78 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -63.36 -50.9 68.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.998 178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.87 -45.18 87.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.344 -178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.664 HG23 ' HG ' ' A' ' 863' ' ' LEU . 19.6 m -56.46 -38.87 72.26 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.062 177.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.3 m -65.48 -33.42 75.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.837 -176.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.77 -37.33 73.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 110.087 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.686 HD12 HD12 ' A' ' 805' ' ' ILE . 12.5 mt -70.95 -39.19 72.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.51 178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 833' ' ' THR . 74.4 t -55.57 -42.68 69.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.667 0.27 . . . . 0.0 110.362 177.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -67.83 -49.17 63.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.494 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.35 -51.73 68.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.884 -176.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.14 -42.65 97.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.934 0.397 . . . . 0.0 110.709 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 40.7 ttmt -62.17 -44.42 96.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.725 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.8 68.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.262 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -71.43 -34.23 70.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.081 0.467 . . . . 0.0 109.843 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.29 -30.99 72.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.643 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 28.1 mm-40 -66.43 -26.07 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.645 177.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -85.06 -15.64 66.71 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.299 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.423 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 7.8 tp10 -79.83 131.18 35.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.068 0.461 . . . . 0.0 110.422 178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 21.0 t -86.92 -13.24 45.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.145 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.423 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 14.9 t70 -86.82 118.47 26.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -41.12 87.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.254 -175.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -61.58 -47.55 85.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.086 0.469 . . . . 0.0 110.468 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.733 HD21 HG13 ' A' ' 909' ' ' ILE . 64.2 t30 -66.34 -40.42 89.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.987 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.432 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 13.4 p -68.31 -37.76 80.92 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.383 -177.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -66.27 -35.73 81.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.767 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.39 -41.41 96.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.878 0.37 . . . . 0.0 110.073 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 92.0 mt -64.78 -47.57 77.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 853' ' ' SER . 82.8 mt -59.96 -46.12 90.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.554 -179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.419 ' O ' HG13 ' A' ' 862' ' ' ILE . 23.1 p -66.72 -41.37 88.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.99 89.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.79 0.329 . . . . 0.0 110.965 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.94 92.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.784 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -69.46 -42.11 75.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.606 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 858' ' ' SER . 75.0 mt -59.66 -46.51 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.032 175.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' A' ' 833' ' ' THR . 12.0 tp -56.06 -53.1 60.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.348 177.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.85 -29.51 59.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.602 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -85.1 -42.41 14.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.349 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -57.77 -28.92 64.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.135 0.493 . . . . 0.0 110.166 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.537 HG21 ' HA ' ' A' ' 830' ' ' ALA . 24.8 m -72.49 -45.87 57.45 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.918 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' ' 872' ' ' GLU . . . -57.22 -47.28 81.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.937 0.398 . . . . 0.0 110.458 177.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.0 -46.01 89.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.208 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 12.6 tpt -57.82 -50.24 73.94 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.345 178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.21 -49.28 85.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.558 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 868' ' ' ALA . 77.7 mt-10 -60.83 -34.93 75.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.44 . . . . 0.0 110.791 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 890' ' ' LEU . . . -70.94 -46.95 61.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.765 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.47 -44.58 95.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -56.77 -43.93 81.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.273 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -76.02 -39.81 31.74 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.83 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -72.7 -28.2 62.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.032 0.444 . . . . 0.0 111.183 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.598 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -83.96 -64.89 1.08 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.111 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -35.53 73.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.172 -174.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -107.64 82.81 1.42 Allowed Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 170.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.84 -25.25 53.12 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.65 2.233 . . . . 0.0 112.853 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -75.8 -25.76 56.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.685 -175.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.527 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 48.7 m -67.01 99.15 0.62 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.763 -174.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.17 -37.41 87.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.717 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 36.3 mm-40 -63.46 -38.92 93.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.832 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.26 -35.09 79.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.559 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.545 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 71.2 mm-40 -60.91 -48.43 81.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 892' ' ' GLU . 55.5 tp60 -64.05 -42.3 97.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.976 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.3 mtt180 -56.32 -40.19 73.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.303 177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.573 ' HA ' ' HB1' ' A' ' 873' ' ' ALA . 57.4 tp -68.87 -39.54 79.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.071 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.5 mtp180 -57.57 -56.27 24.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.737 0.304 . . . . 0.0 110.954 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 888' ' ' GLN . 7.7 pt-20 -67.59 -32.31 72.95 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.417 -178.075 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.86 67.33 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -64.74 -40.02 94.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.995 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -64.22 -38.37 90.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.322 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -67.23 -43.63 88.5 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.741 176.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.9 -45.32 94.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.035 0.445 . . . . 0.0 109.986 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.454 ' HG3' HD12 ' A' ' 806' ' ' LEU . 61.2 ttp180 -58.77 -49.25 78.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.365 177.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 49.2 ttm -60.62 -47.35 86.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.213 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.52 88.25 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.978 0.418 . . . . 0.0 110.888 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.546 HG21 ' HB ' ' A' ' 805' ' ' ILE . 26.5 m -67.39 -43.3 81.68 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.91 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 24.7 t-20 -60.89 -39.85 90.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.373 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.92 -45.14 83.0 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.698 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.81 -34.4 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.027 0.441 . . . . 0.0 110.379 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -60.85 -43.66 98.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.716 175.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -75.66 -25.07 56.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.36 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -79.65 -6.7 57.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.596 179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -58.6 111.86 1.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 0.733 HG13 HD21 ' A' ' 852' ' ' ASN . 50.5 mm -82.56 133.36 29.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.655 -177.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.483 ' HB3' ' NZ ' ' A' ' 910' ' ' LYS . 8.0 mtpm? -91.25 117.24 29.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.013 0.435 . . . . 0.0 110.328 179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . 0.638 ' HA ' ' HE3' ' A' ' 911' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.411 176.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 37.7 pt -121.27 144.25 30.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.643 0.258 . . . . 0.0 110.442 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -95.67 155.53 38.43 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.373 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -76.92 7.79 3.44 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.866 2.377 . . . . 0.0 111.307 172.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 66.19 -174.3 0.19 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.019 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 37.1 m -83.62 95.07 8.23 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.139 0.495 . . . . 0.0 110.423 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -151.6 167.57 27.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.069 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -80.82 104.79 11.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.951 0.405 . . . . 0.0 110.033 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -86.99 133.87 33.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.778 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 8.2 m -78.43 82.6 4.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.318 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -171.84 33.63 0.14 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.938 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -104.44 144.08 32.15 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.657 0.265 . . . . 0.0 110.353 -178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -75.53 -171.99 31.12 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.614 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.24 -176.1 2.29 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 123.022 2.481 . . . . 0.0 111.666 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -78.06 78.1 4.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.353 0.597 . . . . 0.0 110.014 177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -109.63 -142.05 9.42 Favored Glycine 0 N--CA 1.44 -1.085 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.69 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.524 ' HG3' ' HB1' ' A' ' 908' ' ' ALA . 16.8 tpp180 50.12 74.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.001 0.471 . . . . 0.0 109.8 -173.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 908' ' ' ALA . 88.3 m-85 73.41 -35.3 0.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.779 -1.1 . . . . 0.0 113.224 178.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -66.49 -31.87 72.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 118.009 0.368 . . . . 0.0 111.362 -172.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -68.97 -38.25 79.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.942 0.401 . . . . 0.0 110.332 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.52 -42.77 21.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.198 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.873 HG21 ' HB2' ' A' ' 905' ' ' ALA . 43.7 p -67.11 -36.26 81.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.315 -176.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -50.18 -43.97 52.68 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.031 0.443 . . . . 0.0 111.204 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 808' ' ' VAL . 61.1 m -62.12 -51.3 68.47 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.639 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.871 HD12 HD12 ' A' ' 836' ' ' LEU . 69.2 mt -63.56 -49.06 84.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.919 -176.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 902' ' ' ASN . 1.1 mm? -52.46 -44.82 65.79 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.905 0.383 . . . . 0.0 110.95 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.9 m -74.92 -46.66 34.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.596 -176.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 70.8 t -60.44 -33.94 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 C-N-CA 121.178 -0.209 . . . . 0.0 110.581 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 898' ' ' ARG . 55.3 m -53.82 -52.0 61.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.021 0.439 . . . . 0.0 111.205 176.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -64.51 -25.25 67.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.717 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 94.4 m-20 -64.62 -24.13 67.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.716 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.33 -36.67 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . 0.419 ' HZ ' ' HB3' ' A' ' 894' ' ' ALA . 98.8 m-85 -73.24 -33.54 65.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 35.8 t -71.71 -36.81 70.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.272 0.558 . . . . 0.0 110.2 177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 13.4 m -83.58 -2.85 56.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.098 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.584 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.3 ttm -54.49 114.58 1.72 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.226 0.536 . . . . 0.0 111.239 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.89 -27.71 3.82 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.231 -177.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -104.23 117.64 34.73 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.731 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.95 -58.61 6.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.771 -173.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -53.13 -43.4 62.99 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 113.457 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -66.8 -47.31 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.771 0.285 . . . . 0.0 111.038 -177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.584 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.0 mtp -59.29 -42.97 92.54 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.051 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.652 HG22 ' HA ' ' A' ' 875' ' ' LYS . 88.0 t -65.63 -40.79 89.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.655 178.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.455 ' O ' HG13 ' A' ' 828' ' ' ILE . 8.9 tpt180 -60.81 -45.49 94.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.433 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.7 -40.64 97.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.151 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.06 83.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.147 0.499 . . . . 0.0 110.956 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 80.0 mtp180 -68.96 -35.49 76.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.484 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.8 mt -65.1 -38.24 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.906 175.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.43 HD22 HG23 ' A' ' 805' ' ' ILE . 37.9 mt -59.17 -47.55 84.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.708 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.27 -44.78 92.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.755 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -61.13 -50.33 73.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.553 178.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.52 94.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.549 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.456 HG21 ' OG1' ' A' ' 867' ' ' THR . 89.0 m -62.6 -35.53 79.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.57 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 24.2 t -63.6 -48.9 75.45 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.053 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -62.58 -32.57 73.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 110.324 178.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.871 HD12 HD12 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -67.34 -51.13 56.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.59 176.136 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.644 HG21 ' HB2' ' A' ' 864' ' ' ALA . 71.1 t -56.54 -42.2 75.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.912 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.13 -42.86 91.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.171 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -68.8 -36.45 78.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.39 179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 836' ' ' LEU . 83.8 mt -58.35 -51.98 64.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -59.94 -42.72 94.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.434 177.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.9 85.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.972 -177.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -75.69 -34.54 60.42 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.69 87.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.286 178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -70.97 -23.88 62.3 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.829 0.347 . . . . 0.0 110.21 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -79.25 -24.76 60.62 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.997 -0.621 . . . . 0.0 111.59 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -68.11 135.61 52.44 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 63.1 m -85.62 -18.81 32.19 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.031 0.443 . . . . 0.0 110.624 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' ' 851' ' ' GLU . 4.7 t70 -86.83 102.46 14.32 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -33.98 69.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.896 0.379 . . . . 0.0 110.885 -175.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.406 ' HB2' ' OD2' ' A' ' 849' ' ' ASP . 2.0 mp0 -58.58 -51.74 68.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.432 175.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.425 HD21 HG13 ' A' ' 909' ' ' ILE . 61.5 t30 -65.04 -37.59 88.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.137 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 56.9 m -57.2 -48.21 79.35 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.799 178.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 854' ' ' ARG . 62.4 mtt180 -62.03 -42.08 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.074 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.3 -45.1 88.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.499 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.901 HD11 HD11 ' A' ' 909' ' ' ILE . 96.1 mt -64.07 -49.78 70.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.643 177.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 853' ' ' SER . 96.2 mt -56.13 -40.49 73.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 39.0 m -67.81 -39.64 83.92 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.71 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.37 -31.46 72.63 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.627 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.37 -43.94 96.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.715 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 11.2 tmtt? -64.55 -43.06 95.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.648 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 80.5 mt -59.58 -48.69 86.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.08 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.536 ' HA ' ' HB1' ' A' ' 900' ' ' ALA . 7.2 tp -63.24 -57.89 8.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.7 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.644 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -57.1 -23.6 48.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.301 0.572 . . . . 0.0 111.078 -176.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.7 OUTLIER -80.36 -35.77 34.96 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.41 -177.239 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -67.07 -27.92 67.77 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.456 ' OG1' HG21 ' A' ' 833' ' ' THR . 3.0 m -66.04 -44.19 85.34 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.192 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.19 80.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.71 0.291 . . . . 0.0 111.124 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -67.04 -43.99 81.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.449 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.62 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.5 tpt -57.56 -50.0 74.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.085 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 52.8 t -60.75 -48.66 87.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.249 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.32 -37.45 87.32 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.644 0.259 . . . . 0.0 111.431 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.9 -48.43 68.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.466 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.85 -45.37 92.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.241 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.652 ' HA ' HG22 ' A' ' 823' ' ' VAL . 53.3 mtpt -56.92 -48.86 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.289 179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -73.28 -40.33 49.55 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.509 -0.853 . . . . 0.0 112.834 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.451 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.88 -25.86 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.011 0.434 . . . . 0.0 111.06 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.731 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -78.16 -58.06 3.46 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.547 177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.546 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.69 -36.91 72.59 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.063 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 32.2 m80 -106.71 82.75 1.09 Allowed Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 170.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.546 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.4 Cg_exo -63.96 -51.16 2.42 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.096 2.531 . . . . 0.0 113.56 -166.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -76.53 -8.06 56.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.094 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 47.6 m -70.99 104.58 3.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.042 0.449 . . . . 0.0 111.218 -177.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -66.5 -28.81 68.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.072 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.522 ' H ' ' CD ' ' A' ' 885' ' ' GLU . 14.0 mp0 -60.94 -40.09 91.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.263 0.554 . . . . 0.0 109.779 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.451 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 15.1 mm100 -73.13 -38.79 66.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.917 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 883' ' ' SER . 69.0 mm-40 -64.14 -37.37 87.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.842 0.353 . . . . 0.0 110.164 178.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -57.75 -49.02 77.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.92 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -64.93 -43.63 92.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.94 -41.54 99.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.409 ' HD2' HH11 ' A' ' 891' ' ' ARG . 38.5 mtm180 -58.63 -38.2 77.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.54 0.21 . . . . 0.0 111.277 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -73.71 -47.84 36.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.854 0.359 . . . . 0.0 110.645 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.62 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -59.9 -44.31 94.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.82 -176.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . 0.419 ' HB3' ' HZ ' ' A' ' 813' ' ' PHE . . . -68.08 -46.91 69.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.398 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -64.09 -33.44 75.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.77 0.319 . . . . 0.0 110.678 178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.65 -47.27 69.4 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.802 175.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -61.3 -44.48 97.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.243 0.544 . . . . 0.0 109.617 176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.425 ' HB2' HG21 ' A' ' 809' ' ' THR . 77.4 ttt180 -53.88 -47.85 70.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.271 176.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.5 ttp -65.9 -48.94 69.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.997 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . 0.536 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -58.95 -40.23 84.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.82 0.343 . . . . 0.0 111.247 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.556 HG21 ' HB ' ' A' ' 805' ' ' ILE . 79.8 m -65.34 -54.5 28.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.839 177.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.646 ' HB2' HD11 ' A' ' 806' ' ' LEU . 56.7 t30 -61.68 -35.12 77.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.704 -177.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.17 83.67 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.012 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.8 74.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.36 0.6 . . . . 0.0 109.472 174.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.873 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -68.4 -26.72 65.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.065 176.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 28.8 mm-40 -77.13 -25.1 51.72 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.107 0.479 . . . . 0.0 110.363 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -77.65 -5.25 49.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.247 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.524 ' HB1' ' HG3' ' A' ' 797' ' ' ARG . . . -51.69 128.75 24.36 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.353 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 0.901 HD11 HD11 ' A' ' 856' ' ' LEU . 2.5 mp -58.2 106.98 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.326 -177.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -170.55 74.57 0.07 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.1 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.106 -0.949 . . . . 0.0 110.401 -178.288 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.869 -0.492 . . . . 0.0 111.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 32.0 pt -92.46 163.61 2.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 21.6 t70 61.12 93.2 0.06 OUTLIER Pre-proline 0 N--CA 1.467 0.397 0 O-C-N 123.848 0.717 . . . . 0.0 111.46 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -77.75 100.41 1.38 Allowed 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.812 2.341 . . . . 0.0 111.272 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -88.47 105.72 17.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.181 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 24.0 m 62.99 86.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.838 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -141.01 147.57 38.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.908 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -94.73 136.16 35.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.789 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 59.95 88.0 0.08 Allowed 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.878 0.736 . . . . 0.0 110.607 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.3 m -132.89 137.29 46.61 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.694 -175.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -118.49 47.22 1.05 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.663 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -87.88 69.16 9.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.442 0.639 . . . . 0.0 110.952 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -156.58 135.02 4.28 Favored Glycine 0 N--CA 1.443 -0.854 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.884 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.28 134.31 41.55 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.757 2.305 . . . . 0.0 111.885 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -122.36 136.92 54.99 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.907 0.384 . . . . 0.0 111.116 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . 0.431 ' H ' ' CG ' ' A' ' 799' ' ' ASP . . . -95.26 -88.12 1.74 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 176.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -163.68 10.4 0.05 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.426 ' HD2' ' HB2' ' A' ' 908' ' ' ALA . 32.4 m-85 -133.77 6.85 3.74 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.584 0.707 . . . . 0.0 109.103 176.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 796' ' ' GLY . 1.1 m-20 -68.22 -35.15 77.51 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.478 -1.237 . . . . 0.0 112.486 -166.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . 0.848 HE21 ' HA ' ' A' ' 800' ' ' GLN . 0.0 OUTLIER -68.9 -43.24 75.65 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.29 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.44 74.94 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.88 -178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 30.5 p -66.03 -38.9 89.59 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.752 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -56.89 -46.15 82.11 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 176.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 808' ' ' VAL . 31.8 m -60.3 -56.11 25.47 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.65 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.645 ' HB ' HG21 ' A' ' 901' ' ' THR . 84.3 mt -57.61 -49.27 81.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.203 -178.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.37 -42.85 74.52 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 33.3 m -74.81 -39.84 61.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.584 -178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 804' ' ' THR . 80.5 t -67.92 -37.79 78.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 O-C-N 122.253 -0.28 . . . . 0.0 110.826 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.945 HG21 ' HB2' ' A' ' 898' ' ' ARG . 87.3 m -52.96 -52.99 56.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.39 -24.67 67.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.124 -178.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 93.7 m-20 -67.34 -28.62 68.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.308 -0.406 . . . . 0.0 112.043 -178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.478 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.6 mp -57.88 -38.29 65.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 110.432 179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -72.81 -28.61 62.67 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.949 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 15.3 m -78.35 -36.81 45.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.154 0.502 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 55.0 m -82.32 -3.54 55.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.165 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.623 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.2 ttm -56.46 111.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.3 0.571 . . . . 0.0 110.347 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 134.47 -30.78 2.85 Favored Glycine 0 N--CA 1.441 -0.968 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.982 -174.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -108.18 116.33 31.77 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.812 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.26 -51.72 62.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.3 -173.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -50.72 -53.76 24.41 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.76 -0.654 . . . . 0.0 113.471 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 39.3 tt0 -69.57 -35.34 75.28 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 117.134 0.467 . . . . 0.0 111.657 -176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.623 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.2 mtp -60.48 -45.63 93.04 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.897 0.379 . . . . 0.0 110.573 176.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.609 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.5 t -65.71 -40.01 86.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.948 176.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.473 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.3 ttm180 -53.56 -50.38 65.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 81.4 mm-40 -61.54 -46.36 90.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.64 -39.76 77.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.823 177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 43.1 mtm180 -62.43 -39.26 92.74 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.77 0.319 . . . . 0.0 110.317 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 824' ' ' ARG . 70.2 mt -61.75 -42.0 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.924 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.564 HD22 HG23 ' A' ' 805' ' ' ILE . 83.2 mt -61.48 -49.56 76.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.874 177.343 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.17 -42.29 72.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.023 0.439 . . . . 0.0 110.666 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.48 -49.09 62.34 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.87 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.43 92.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.395 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.621 HG23 ' HG ' ' A' ' 863' ' ' LEU . 26.0 m -58.95 -39.91 83.08 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.32 176.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 74.4 m -61.18 -35.43 77.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.551 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.47 -48.02 79.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.911 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.428 HD12 HD12 ' A' ' 805' ' ' ILE . 16.6 mt -64.85 -44.23 90.45 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.877 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 833' ' ' THR . 71.0 t -53.34 -49.21 54.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.639 0.257 . . . . 0.0 111.008 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -67.34 -44.73 78.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.849 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.08 -53.32 58.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.431 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.32 -46.43 94.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.348 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 56.8 mttm -58.75 -49.52 77.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.924 0.393 . . . . 0.0 111.218 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . 0.539 ' HA ' ' OE1' ' A' ' 845' ' ' GLU . . . -69.11 -34.84 75.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.334 -176.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.09 -34.37 63.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.932 0.396 . . . . 0.0 110.434 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.08 -23.46 67.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.998 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . 0.539 ' OE1' ' HA ' ' A' ' 842' ' ' ALA . 44.3 mt-10 -72.22 -24.99 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.278 176.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -95.55 -26.7 11.52 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.115 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -59.3 126.31 27.15 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 47.0 m -84.16 -30.69 25.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.642 0.258 . . . . 0.0 111.245 -177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.75 101.45 2.59 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.3 tp -56.81 -39.06 73.45 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.359 0.412 . . . . 0.0 111.952 -172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.4 -48.37 79.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.945 0.403 . . . . 0.0 110.12 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.452 ' HA ' ' HE2' ' A' ' 855' ' ' LYS . 58.0 t30 -70.78 -36.36 73.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.731 178.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 41.6 m -58.8 -50.06 75.37 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.117 0.484 . . . . 0.0 110.092 177.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -61.69 -45.76 92.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.677 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 852' ' ' ASN . 37.5 ttpt -57.34 -42.01 81.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.834 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.08 -53.01 62.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.705 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 67.4 mt -60.22 -44.75 94.92 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.561 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.2 m -61.5 -41.79 97.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.716 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.54 79.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.101 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -59.86 -43.15 94.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.836 0.35 . . . . 0.0 110.979 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . 0.472 ' O ' ' HD2' ' A' ' 861' ' ' LYS . 0.3 OUTLIER -66.25 -45.17 81.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.771 178.822 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.8 -47.24 86.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.331 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.621 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.4 tp -58.21 -56.49 21.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.356 178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.81 -30.68 61.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.435 -176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -85.14 -39.65 17.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.701 -178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.82 71.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.253 0.549 . . . . 0.0 109.631 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.444 ' OG1' HG21 ' A' ' 833' ' ' THR . 24.0 m -67.32 -49.55 63.66 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.841 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.16 -50.18 71.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -60.4 -45.26 94.2 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.666 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 13.2 ttt -64.86 -49.46 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.635 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.578 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 50.2 t -54.88 -48.09 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.215 -178.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.444 ' HA ' ' HE3' ' A' ' 875' ' ' LYS . 33.3 mt-10 -64.85 -40.67 95.54 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.745 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -63.25 -46.06 88.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.709 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.56 89.42 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.698 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 823' ' ' VAL . 10.1 mtmp? -59.27 -43.78 92.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.943 0.401 . . . . 0.0 110.628 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.42 -42.65 64.18 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.443 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -66.36 -31.69 72.62 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.153 0.501 . . . . 0.0 110.988 -179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.812 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -70.96 -58.99 3.04 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.602 177.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.541 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -68.35 -28.53 67.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.605 -175.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -104.86 87.22 1.74 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 172.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 25.4 Cg_exo -61.58 -54.35 1.72 Allowed 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.104 2.536 . . . . 0.0 113.207 -166.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.01 -17.42 59.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.966 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.544 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.6 t -57.86 102.68 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.108 0.48 . . . . 0.0 111.696 -171.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.115 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.93 -50.16 67.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.156 177.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.575 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 14.2 mm100 -58.22 -44.19 88.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.782 179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.567 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 72.3 mm-40 -62.82 -47.57 82.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.384 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -59.63 -42.7 93.32 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.176 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 71.1 mtp180 -59.94 -45.09 93.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.425 177.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.478 HD21 ' CG2' ' A' ' 812' ' ' ILE . 59.8 tp -65.72 -40.79 92.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.475 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 71.3 mtt180 -53.13 -49.05 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.725 0.298 . . . . 0.0 111.571 -178.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -80.22 -32.19 38.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.723 0.297 . . . . 0.0 111.098 -178.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -67.79 -44.06 78.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.158 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . 0.666 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -63.84 -40.2 96.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.094 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -67.8 -36.2 79.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -65.8 -42.05 95.33 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.282 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -63.89 -49.66 71.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.747 0.308 . . . . 0.0 110.491 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.945 ' HB2' HG21 ' A' ' 809' ' ' THR . 12.8 ttp180 -61.03 -41.49 96.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.634 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 51.7 ttm -67.33 -42.7 83.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.031 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.64 99.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.968 0.413 . . . . 0.0 110.726 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.645 HG21 ' HB ' ' A' ' 805' ' ' ILE . 37.0 m -67.08 -41.45 86.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.231 0.539 . . . . 0.0 110.324 177.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -61.15 -33.09 72.85 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.972 177.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 906' ' ' GLN . . . -65.78 -44.28 86.26 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.658 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.11 -33.36 73.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.115 0.483 . . . . 0.0 110.293 175.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.26 -46.32 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.233 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . 0.644 ' HA ' ' HG3' ' A' ' 910' ' ' LYS . 3.4 pt20 -74.26 -21.86 59.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.271 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -77.43 -6.19 52.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.398 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.426 ' HB2' ' HD2' ' A' ' 798' ' ' TYR . . . -78.86 42.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.58 176.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 69.4 mt 52.62 81.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.76 0.791 . . . . 0.0 110.847 -174.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.644 ' HG3' ' HA ' ' A' ' 906' ' ' GLN . 74.1 mmtt -122.2 87.99 2.85 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.369 178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.467 -0.778 . . . . 0.0 109.881 -178.23 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 6.4 tp -130.59 129.09 64.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.203 0.525 . . . . 0.0 110.314 178.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . 0.403 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 32.4 t70 -88.2 130.04 47.55 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.481 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 26.6 Cg_exo -62.89 126.06 17.29 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.932 2.422 . . . . 0.0 112.05 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -67.28 -26.38 66.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.06 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.6 p -79.72 -51.53 9.1 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.005 0.431 . . . . 0.0 110.335 176.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 72.71 153.29 0.13 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.564 -1.198 . . . . 0.0 112.38 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -98.71 9.11 44.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.584 178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -87.91 141.63 28.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.784 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.0 t -134.74 85.65 2.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.04 0.924 . . . . 0.0 111.065 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -143.39 54.22 0.59 Allowed Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.893 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -107.6 -0.09 22.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.308 . . . . 0.0 111.04 -174.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -76.06 152.87 42.66 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.884 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -61.27 135.31 57.23 Favored 'Trans proline' 0 C--O 1.235 0.349 0 C-N-CA 122.601 2.2 . . . . 0.0 112.028 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -144.77 154.6 42.88 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.149 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -76.57 -109.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.596 -0.812 . . . . 0.0 111.338 174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.522 ' NH2' ' HB ' ' A' ' 909' ' ' ILE . 64.3 mtt180 -124.38 -62.42 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.153 0.502 . . . . 0.0 110.079 173.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 840' ' ' ILE . 4.3 m-85 -122.35 13.37 10.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.071 -177.301 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.37 -39.31 89.04 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.136 -166.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 -64.27 -50.19 68.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.79 0.328 . . . . 0.0 111.041 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -74.24 -36.53 63.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.662 -175.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 17.7 p -64.1 -42.62 96.83 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.592 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -54.58 -43.28 71.98 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.159 177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.449 ' O ' HG23 ' A' ' 808' ' ' VAL . 31.2 m -57.1 -53.0 63.04 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.507 177.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.725 HG23 HD22 ' A' ' 829' ' ' LEU . 68.9 mt -62.71 -49.98 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.581 -177.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' ' 902' ' ' ASN . 0.8 OUTLIER -53.86 -42.48 68.6 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.588 0.233 . . . . 0.0 111.41 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 50.3 m -71.25 -50.52 31.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.699 0.285 . . . . 0.0 111.303 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 804' ' ' THR . 90.2 t -60.61 -36.0 67.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.34 -176.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 99.8 m -54.76 -45.26 74.19 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 111.718 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.473 ' HA ' ' OE1' ' A' ' 810' ' ' GLU . 5.0 mm-40 -63.13 -25.72 68.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.051 0.453 . . . . 0.0 110.954 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -72.17 -23.6 61.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.578 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.458 HG13 ' CB ' ' A' ' 825' ' ' GLN . 3.7 mp -67.21 -44.66 87.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.564 178.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.44 -31.07 69.17 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.908 0.385 . . . . 0.0 110.8 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 23.2 t -72.63 -39.68 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.172 0.51 . . . . 0.0 110.088 177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -83.16 -5.98 59.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.228 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.622 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 48.1 ttm -54.01 121.38 7.93 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 128.69 -22.28 5.22 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -174.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -114.79 116.11 28.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.585 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.42 -50.72 66.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.955 -173.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.5 -43.6 94.02 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 121.093 -0.575 . . . . 0.0 113.255 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.408 ' OE1' ' HD2' ' A' ' 824' ' ' ARG . 7.6 tp10 -67.54 -44.25 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.759 0.314 . . . . 0.0 111.588 -177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.622 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 85.1 mtp -60.57 -39.93 89.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.674 -175.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.498 HG22 ' HA ' ' A' ' 875' ' ' LYS . 69.2 t -66.67 -37.3 79.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.44 178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.408 ' HD2' ' OE1' ' A' ' 821' ' ' GLU . 41.2 ttm180 -61.25 -46.31 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.692 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.458 ' CB ' HG13 ' A' ' 812' ' ' ILE . 15.0 mm100 -59.18 -40.06 84.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.182 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -64.7 -37.82 88.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.028 178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -61.98 -36.8 82.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.92 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 64.7 mt -64.11 -43.65 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.465 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.725 HD22 HG23 ' A' ' 805' ' ' ILE . 47.6 mt -61.36 -45.87 92.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.737 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -56.67 -40.08 74.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.009 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.42 -49.22 67.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.563 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.76 -45.01 91.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.894 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.678 HG23 ' HG ' ' A' ' 863' ' ' LEU . 46.4 m -58.56 -36.44 73.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.242 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.0 m -59.71 -35.98 75.61 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.134 -175.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -72.83 -39.07 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.204 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.48 ' CD2' ' HB3' ' A' ' 798' ' ' TYR . 13.3 mt -65.66 -41.6 92.34 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.032 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 833' ' ' THR . 93.8 t -53.38 -40.89 42.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -74.21 -43.53 56.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.923 177.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.23 -47.87 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.651 -177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.558 ' HA ' ' CE1' ' A' ' 798' ' ' TYR . 75.8 mt -59.57 -44.87 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 64.1 mttm -58.93 -46.53 87.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.993 0.425 . . . . 0.0 110.823 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.62 99.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.553 -177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.421 ' OD2' ' HD3' ' A' ' 797' ' ' ARG . 36.9 t70 -74.4 -30.29 61.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.789 0.328 . . . . 0.0 110.362 -178.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.32 80.67 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 175.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.6 mt-10 -75.16 -15.94 60.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.581 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -90.57 -7.19 67.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.575 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -83.91 140.89 31.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.914 0.388 . . . . 0.0 110.318 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 23.3 t -90.72 -19.67 23.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.246 0.546 . . . . 0.0 110.185 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.46 108.08 20.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.85 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.473 ' HA ' ' HB2' ' A' ' 853' ' ' SER . 4.7 mp -63.0 -29.5 70.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.679 -178.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -58.22 -39.61 79.51 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-O 121.445 0.64 . . . . 0.0 109.528 176.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.906 HD21 HD11 ' A' ' 909' ' ' ILE . 66.9 t30 -80.29 -42.42 23.12 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.725 176.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.473 ' HB2' ' HA ' ' A' ' 850' ' ' LEU . 47.3 m -55.6 -49.5 72.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.192 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -68.59 -29.13 67.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.695 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -69.98 -36.96 75.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.936 177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' A' ' 907' ' ' ASN . 92.8 mt -68.33 -47.82 66.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.345 174.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.06 -49.31 76.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.271 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 862' ' ' ILE . 18.8 p -63.11 -39.33 94.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.759 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.15 93.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.99 98.69 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.965 177.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -67.74 -39.03 84.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.676 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 858' ' ' SER . 84.5 mt -63.65 -47.01 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.994 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.678 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.1 tp -56.35 -57.42 12.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.801 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -53.51 -35.29 60.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -83.8 -38.5 21.18 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.743 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.73 -27.51 67.97 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 175.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.415 ' OG1' HG21 ' A' ' 833' ' ' THR . 24.4 m -72.06 -49.82 33.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.788 177.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.02 -45.69 82.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.409 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -53.97 -50.31 66.82 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.641 173.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.742 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 0.3 OUTLIER -60.31 -54.5 44.94 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.105 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.485 HG12 ' HE3' ' A' ' 875' ' ' LYS . 74.2 t -57.3 -41.9 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.945 -175.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -68.49 -36.86 79.52 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.975 -0.29 . . . . 0.0 110.958 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.82 -39.97 76.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.415 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.15 95.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.567 177.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.498 ' HA ' HG22 ' A' ' 823' ' ' VAL . 94.0 mttt -57.48 -50.79 71.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.733 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.66 -45.3 93.27 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.515 -178.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -66.98 -30.75 70.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.179 0.514 . . . . 0.0 111.151 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.585 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -76.84 -65.3 0.96 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.909 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.95 -31.03 72.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.765 -173.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -106.44 83.69 1.25 Allowed Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.9 -40.29 21.75 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 122.6 2.2 . . . . 0.0 112.655 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -76.6 -9.74 58.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.359 -175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.559 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 35.6 t -79.66 98.26 6.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.954 0.406 . . . . 0.0 110.751 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.01 -25.95 66.54 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.352 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.478 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 45.5 mt-10 -60.38 -50.04 75.19 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.982 175.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -64.24 -33.59 76.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.968 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 883' ' ' SER . 72.5 mm-40 -62.34 -48.78 78.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.096 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.525 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 53.7 tp60 -63.73 -42.17 97.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.611 178.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 97.1 mtt180 -59.06 -39.81 83.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.431 176.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 47.2 tp -65.28 -39.78 93.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.466 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 96.9 mtt180 -58.42 -51.18 70.94 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 176.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 36.2 mt-10 -56.02 -49.59 73.24 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.429 0.633 . . . . 0.0 110.532 177.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.742 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.26 -45.47 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.932 -175.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -69.62 -37.48 76.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.774 -0.193 . . . . 0.0 111.123 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -69.65 -36.3 75.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.264 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.68 93.5 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.462 174.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.64 -47.65 82.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -59.35 -47.16 86.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.079 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 54.0 ttp -58.36 -50.11 74.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.777 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.59 -46.49 90.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.901 0.382 . . . . 0.0 111.265 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.68 HG21 ' HB ' ' A' ' 805' ' ' ILE . 44.0 m -66.0 -46.57 77.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.175 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.44 ' HB2' HD11 ' A' ' 806' ' ' LEU . 57.0 t30 -66.95 -30.83 71.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.054 0.454 . . . . 0.0 109.947 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 906' ' ' GLN . . . -66.26 -44.14 84.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.981 173.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.37 -33.33 73.48 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.084 0.468 . . . . 0.0 110.279 174.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.1 84.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.173 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 903' ' ' ALA . 2.7 pt20 -78.16 -23.26 47.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.642 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . 0.417 ' HB3' ' CD2' ' A' ' 856' ' ' LEU . 3.6 m-80 -69.23 -16.08 63.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.898 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -71.4 108.89 5.06 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.187 175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 0.906 HD11 HD21 ' A' ' 852' ' ' ASN . 2.9 mp -61.32 131.71 26.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.755 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.4 ' HE3' ' HB2' ' A' ' 910' ' ' LYS . 39.0 ttmt -147.58 100.56 3.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.611 -175.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 55.8 pttt . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.616 -177.391 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 29.4 pt -102.49 37.01 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.116 0.484 . . . . 0.0 109.877 179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -51.62 113.82 4.47 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.485 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -94.02 70.73 0.35 Allowed 'Trans proline' 0 N--CA 1.45 -1.057 0 C-N-CA 123.305 2.67 . . . . 0.0 111.143 174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -61.11 102.86 0.23 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.606 -172.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.3 m 60.5 40.19 17.31 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.852 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -62.87 118.91 8.41 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.118 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -120.78 127.17 51.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.924 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 53.27 71.83 0.47 Allowed 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.555 0.535 . . . . 0.0 110.874 -176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.737 HG21 ' HA ' ' A' ' 795' ' ' ALA . 7.6 t -106.59 2.08 25.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.633 -175.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 134.92 -26.73 3.25 Favored Glycine 0 CA--C 1.511 -0.2 0 C-N-CA 120.512 -0.852 . . . . 0.0 111.765 -178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -138.72 30.1 2.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.292 0.567 . . . . 0.0 109.602 177.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 84.49 -118.44 4.72 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 -170.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.631 ' HB3' ' HG3' ' A' ' 800' ' ' GLN . 25.6 Cg_exo -63.74 164.28 21.92 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.496 2.131 . . . . 0.0 111.081 172.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.737 ' HA ' HG21 ' A' ' 790' ' ' THR . . . -64.33 127.95 33.68 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . 0.521 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . 59.46 -133.46 51.91 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.572 174.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.541 ' HB2' HG13 ' A' ' 909' ' ' ILE . 30.9 ttm180 -118.3 -50.92 2.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.978 0.418 . . . . 0.0 110.094 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 836' ' ' LEU . 16.5 m-85 -118.03 7.22 12.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . 0.521 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 2.6 m-20 -67.71 -29.04 68.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.966 -166.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . 0.631 ' HG3' ' HB3' ' A' ' 794' ' ' PRO . 15.1 mm100 -71.77 -48.67 45.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.966 0.412 . . . . 0.0 110.826 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.17 -39.02 89.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.038 -177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 21.3 p -67.67 -43.27 80.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.367 177.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.15 -43.46 61.25 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.768 176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.434 ' O ' HG23 ' A' ' 808' ' ' VAL . 29.7 m -55.31 -54.11 47.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.35 175.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.612 ' HB ' HG21 ' A' ' 901' ' ' THR . 91.1 mt -61.69 -50.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.46 -179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.3 mm? -55.7 -38.63 69.95 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.645 0.259 . . . . 0.0 111.35 -179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 32.7 m -76.28 -46.39 28.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.483 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.654 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 89.1 t -64.52 -27.72 43.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.549 0.214 . . . . 0.0 110.999 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.449 HG21 ' HB2' ' A' ' 898' ' ' ARG . 54.8 m -52.88 -51.28 61.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 807' ' ' THR . 12.7 pt-20 -67.77 -24.4 65.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.608 0.242 . . . . 0.0 110.815 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.654 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.2 m-20 -58.41 -33.64 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.625 -177.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.524 HG21 HD11 ' A' ' 890' ' ' LEU . 3.4 mp -60.82 -37.26 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -75.06 -30.14 60.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.964 0.412 . . . . 0.0 110.329 178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.4 t -72.33 -45.44 59.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.318 178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.4 m -81.61 -2.87 51.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.373 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.603 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 47.3 ttm -50.28 115.68 1.54 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.259 0.552 . . . . 0.0 110.633 -179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.09 -41.3 1.52 Allowed Glycine 0 N--CA 1.444 -0.807 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 -174.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -96.7 112.02 23.94 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 174.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.766 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.14 -51.25 64.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.651 -173.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.59 -44.71 90.87 Favored Glycine 0 CA--C 1.519 0.291 0 C-N-CA 121.258 -0.496 . . . . 0.0 112.87 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -67.36 -39.29 85.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.751 0.275 . . . . 0.0 111.031 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.603 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 84.6 mtp -61.57 -47.85 83.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.857 0.36 . . . . 0.0 110.622 177.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.597 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 75.9 t -65.68 -35.34 74.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.266 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.45 ' O ' HG13 ' A' ' 828' ' ' ILE . 18.5 tpt180 -55.83 -48.7 75.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.609 177.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -63.67 -41.69 98.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.632 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.38 -40.15 81.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.226 175.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.597 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 85.8 mtt-85 -62.84 -42.19 99.64 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.694 0.283 . . . . 0.0 110.351 177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.8 mt -59.91 -44.73 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.035 177.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.578 HD22 HG23 ' A' ' 805' ' ' ILE . 57.2 mt -60.05 -47.26 86.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.95 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.25 -51.89 67.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.686 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -58.91 -48.21 82.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.786 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.85 -45.62 93.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.026 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.502 HG21 ' OG1' ' A' ' 867' ' ' THR . 98.4 m -62.91 -40.36 97.34 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.639 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.2 m -59.34 -45.53 91.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.134 0.492 . . . . 0.0 110.391 -178.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -68.64 -36.42 78.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.482 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 798' ' ' TYR . 27.8 tp -68.39 -42.77 78.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 833' ' ' THR . 56.2 t -55.89 -49.1 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.773 0.321 . . . . 0.0 110.612 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.04 -46.12 90.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.281 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.68 72.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.129 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 68.4 mt -60.49 -48.79 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.179 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 45.8 mtpt -68.86 -39.15 80.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.757 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.61 79.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 0.0 110.493 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.508 ' OD2' ' HD3' ' A' ' 797' ' ' ARG . 33.0 t70 -69.62 -32.14 70.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.155 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.73 -33.94 77.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.982 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 53.0 mt-10 -72.83 -30.19 63.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.56 179.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.0 -20.21 53.9 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.663 -0.779 . . . . 0.0 111.785 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -61.87 122.72 16.12 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.702 0.401 . . . . 0.0 110.594 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 57.0 p -79.91 -14.02 58.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.962 0.411 . . . . 0.0 110.696 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.502 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 7.8 t70 -86.83 95.38 9.84 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.637 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 0.2 OUTLIER -57.44 -38.71 74.84 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 123.355 0.409 . . . . 0.0 110.906 -173.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.04 -39.8 87.03 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.021 0.439 . . . . 0.0 110.774 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.502 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.2 t30 -72.71 -32.98 66.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.0 177.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 50.6 m -60.13 -40.57 90.26 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.502 175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 85.9 mtt-85 -60.64 -40.33 91.59 Favored 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.189 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -64.73 -41.74 95.73 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.609 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 94.2 mt -65.35 -48.97 71.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.966 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.2 mt -58.47 -46.13 87.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.412 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 14.1 p -69.43 -36.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.011 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.62 -46.37 90.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.784 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.08 -37.24 86.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.671 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.6 mmmp? -63.49 -52.81 59.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.366 176.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.21 -40.75 90.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.93 -178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 833' ' ' THR . 10.0 tp -61.87 -57.19 12.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.59 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.424 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -54.39 -30.02 50.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.887 0.375 . . . . 0.0 111.705 -174.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -82.97 -35.51 25.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.484 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.51 -33.0 74.62 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.502 ' OG1' HG21 ' A' ' 833' ' ' THR . 5.7 m -69.73 -43.54 72.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.944 176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -40.96 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.026 0.441 . . . . 0.0 110.522 176.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . 0.439 ' HE2' ' HB3' ' A' ' 869' ' ' LYS . 8.2 mmmm -64.15 -53.66 45.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.276 174.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.402 ' HB2' ' HB2' ' A' ' 897' ' ' LEU . 11.3 tpt -55.5 -53.6 54.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.332 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 830' ' ' ALA . 40.0 t -59.15 -50.1 81.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.899 -175.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.47 -31.51 69.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.722 0.296 . . . . 0.0 111.369 -178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.58 -46.51 75.74 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 175.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.7 -47.57 85.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.966 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.559 ' HA ' HG22 ' A' ' 823' ' ' VAL . 29.4 mtpp -55.67 -48.97 74.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.781 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.01 92.64 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.97 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -71.0 -27.93 64.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.223 0.535 . . . . 0.0 111.229 -177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.766 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -80.14 -60.69 2.24 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.881 179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.534 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -62.8 -35.0 78.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.073 -175.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -106.59 84.21 1.42 Allowed Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 24.4 Cg_exo -62.46 -38.26 53.78 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.964 2.442 . . . . 0.0 112.752 -168.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.32 -14.33 59.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.797 -173.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.599 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -68.4 105.04 2.04 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.078 0.466 . . . . 0.0 111.477 -172.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -67.01 -32.1 73.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.998 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -68.47 -41.65 79.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.187 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.46 ' HB2' ' HB3' ' A' ' 883' ' ' SER . 14.4 mm100 -67.53 -38.05 83.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.528 176.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.599 ' HG2' ' O ' ' A' ' 883' ' ' SER . 80.6 mm-40 -59.51 -45.58 91.31 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 174.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -57.42 -50.24 73.65 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.753 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -54.4 -46.38 73.1 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.399 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.524 HD11 HG21 ' A' ' 812' ' ' ILE . 58.7 tp -62.48 -48.45 79.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.373 -179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -58.54 -41.24 85.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 111.07 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -71.82 -47.36 53.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -66.72 -40.95 88.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.112 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.69 84.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.639 0.257 . . . . 0.0 111.144 -178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -72.72 -36.64 67.82 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.439 177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.3 -44.85 96.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.747 . . . . 0.0 111.468 175.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.402 ' HB2' ' HB2' ' A' ' 870' ' ' MET . 3.0 tm? -60.66 -48.87 79.86 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 175.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.449 ' HB2' HG21 ' A' ' 809' ' ' THR . 46.8 ttp180 -55.97 -50.11 71.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.222 177.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 50.0 ttp -59.52 -50.12 75.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.48 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . 0.425 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -59.6 -45.54 91.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.98 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.612 HG21 ' HB ' ' A' ' 805' ' ' ILE . 24.4 m -66.5 -45.0 81.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.67 178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -59.93 -39.26 84.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.672 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . 0.573 ' HA ' HE21 ' A' ' 906' ' ' GLN . . . -64.56 -44.27 91.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.725 177.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.58 -34.53 78.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.293 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -64.76 -32.79 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.088 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . 0.573 HE21 ' HA ' ' A' ' 903' ' ' ALA . 50.0 mt-30 -72.94 -25.72 61.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.927 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -86.17 -6.98 58.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.606 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.524 ' O ' ' HB ' ' A' ' 909' ' ' ILE . . . -74.37 109.26 7.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.407 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 0.541 HG13 ' HB2' ' A' ' 797' ' ' ARG . 14.0 mt 72.95 147.68 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 123.604 0.565 . . . . 0.0 111.111 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -77.16 73.52 3.74 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 111.445 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 52.3 mttp . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.401 175.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.396 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 45.0 mm -104.19 114.8 44.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 109.921 -0.399 . . . . 0.0 109.921 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -80.53 132.38 58.67 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.174 -178.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.39 116.22 3.18 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.636 2.224 . . . . 0.0 112.098 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -94.09 83.18 4.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.52 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 26.0 m 56.89 94.9 0.02 OUTLIER 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.043 178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -77.66 106.09 9.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -98.14 -69.01 0.78 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.93 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -154.25 86.33 1.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.149 0.499 . . . . 0.0 111.009 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 2.0 p -134.53 117.86 16.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.316 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 111.21 10.45 20.24 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 -176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -136.67 171.49 14.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.646 -0.277 . . . . 0.0 110.414 -178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -79.86 155.08 38.44 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.984 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.13 117.3 4.96 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.728 2.286 . . . . 0.0 111.393 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -83.01 138.03 33.91 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . 0.416 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . -81.27 -112.33 0.34 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.759 177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.44 ' HD3' ' OD2' ' A' ' 843' ' ' ASP . 41.2 ttm180 -140.57 -58.08 0.52 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.677 0.275 . . . . 0.0 110.918 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.434 ' HB3' HD21 ' A' ' 836' ' ' LEU . 17.1 m-85 -100.57 14.36 31.6 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . 0.416 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 0.9 OUTLIER -67.16 -33.66 75.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.477 -0.783 . . . . 0.0 113.109 -164.814 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.96 -46.79 56.13 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.551 -0.459 . . . . 0.0 110.555 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -66.87 -43.58 83.15 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.415 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 34.2 p -64.34 -45.24 88.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 121.119 -0.232 . . . . 0.0 110.685 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.33 -42.04 69.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.61 177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.46 ' O ' HG23 ' A' ' 808' ' ' VAL . 92.6 m -58.87 -54.57 45.58 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.283 176.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.672 ' HB ' HG21 ' A' ' 901' ' ' THR . 65.1 mt -60.77 -50.68 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.504 -177.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 806' ' ' LEU . 1.0 OUTLIER -51.08 -52.43 43.51 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.723 0.297 . . . . 0.0 110.925 178.52 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 47.1 m -65.33 -47.61 75.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.661 -177.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 804' ' ' THR . 92.8 t -62.82 -34.79 67.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.824 -0.171 . . . . 0.0 110.839 -178.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.6 HG21 ' HB2' ' A' ' 898' ' ' ARG . 90.0 m -55.6 -48.79 74.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.92 0.39 . . . . 0.0 110.954 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -58.31 -31.47 67.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.112 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.16 -21.78 63.04 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.927 -174.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.445 HD12 ' O ' ' A' ' 808' ' ' VAL . 2.8 mp -63.23 -41.53 93.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.517 -0.473 . . . . 0.0 109.801 175.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -71.88 -27.82 63.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.684 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.9 m -75.11 -32.39 61.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.237 0.541 . . . . 0.0 110.337 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 35.4 m -82.81 -3.75 57.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.562 -177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.1 mmt -46.52 121.74 3.67 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.619 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.32 -28.92 7.96 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.416 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . 0.433 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 10.7 t70 -105.91 113.15 26.53 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.643 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.43 -51.02 65.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.684 -173.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.53 -42.07 97.5 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.43 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.556 ' OE2' ' HD3' ' A' ' 824' ' ' ARG . 9.5 tp10 -63.99 -45.95 86.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.762 0.315 . . . . 0.0 111.17 -178.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.547 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 90.1 mtp -63.86 -45.24 90.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.438 -177.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.637 HG22 ' HA ' ' A' ' 875' ' ' LYS . 89.2 t -65.71 -35.8 76.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.897 0.38 . . . . 0.0 110.25 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.556 ' HD3' ' OE2' ' A' ' 821' ' ' GLU . 47.3 ttt180 -55.99 -51.17 68.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.499 175.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 79.6 mm-40 -59.88 -41.82 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.96 -178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.62 -39.98 86.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.308 176.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 70.9 mtp180 -68.93 -32.99 73.0 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.796 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 824' ' ' ARG . 73.9 mt -66.34 -44.36 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.756 175.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.591 HD22 HG23 ' A' ' 805' ' ' ILE . 67.2 mt -58.27 -47.35 83.89 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.562 175.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.07 -43.7 70.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.088 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -65.98 -48.37 71.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.678 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.05 96.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.192 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.533 HG23 ' HG ' ' A' ' 863' ' ' LEU . 49.5 m -60.96 -37.73 83.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 176.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 71.1 m -60.94 -33.74 73.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.559 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -65.83 -52.55 49.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.043 176.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.448 HD12 HD12 ' A' ' 805' ' ' ILE . 26.0 mt -60.59 -47.91 84.09 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.927 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 833' ' ' THR . 86.7 t -53.82 -42.37 52.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 111.003 -178.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -76.27 -44.75 35.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.66 0.267 . . . . 0.0 111.254 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.2 68.1 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.506 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.74 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.062 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.87 -41.41 97.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.694 0.283 . . . . 0.0 111.278 -179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.67 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.173 0.511 . . . . 0.0 110.614 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.44 ' OD2' ' HD3' ' A' ' 797' ' ' ARG . 33.4 t70 -72.19 -34.71 68.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.669 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -61.6 -29.22 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -76.12 -20.29 57.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.664 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -99.31 0.16 57.06 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.245 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.462 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.4 tp10 -86.33 144.27 27.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.2 m -89.4 -1.91 58.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.908 -173.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.462 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 17.9 t70 -121.15 113.19 19.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.36 -29.89 66.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.825 -173.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -61.85 -46.32 89.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.47 0.652 . . . . 0.0 109.31 175.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.404 ' ND2' ' HG2' ' A' ' 847' ' ' GLU . 42.9 t30 -63.72 -40.67 97.33 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.514 175.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 58.6 m -58.86 -40.27 83.81 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.946 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.53 -42.19 98.46 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.607 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -62.0 -44.3 97.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.496 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.8 mt -59.46 -53.63 55.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.861 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.14 -42.96 81.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.225 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.0 m -63.94 -39.92 95.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.87 95.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.9 99.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.698 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -59.59 -52.13 66.84 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.001 178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.19 -43.81 94.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.884 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.533 ' HG ' HG23 ' A' ' 833' ' ' THR . 13.3 tp -60.14 -53.17 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.753 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.16 -30.99 60.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.319 -176.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -85.28 -39.11 18.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.439 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.52 -32.72 67.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.89 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.405 ' OG1' HG21 ' A' ' 833' ' ' THR . 10.2 m -74.07 -43.51 57.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.859 178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.55 -43.32 79.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 111.044 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -68.45 -47.05 68.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.386 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.696 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 12.9 tpt -55.57 -53.39 56.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.745 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.426 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 44.9 t -59.54 -46.11 93.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.895 -175.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -68.5 -38.94 81.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.698 0.285 . . . . 0.0 111.416 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.69 -39.04 84.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 0.0 110.519 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.86 97.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.796 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.637 ' HA ' HG22 ' A' ' 823' ' ' VAL . 98.2 mttt -58.85 -49.38 77.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.762 178.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.49 -45.86 91.97 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 112.892 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.74 -25.37 64.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.977 0.418 . . . . 0.0 111.08 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.643 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -82.76 -64.94 1.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.111 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.537 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -59.53 -36.86 76.94 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -175.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . 0.41 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 73.6 m80 -106.79 84.25 1.48 Allowed Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 170.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.537 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 31.6 Cg_exo -59.64 -53.19 3.55 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.047 2.498 . . . . 0.0 113.31 -167.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.44 -2.42 31.96 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 -173.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.41 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 67.4 m -71.58 95.63 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 111.015 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -63.26 -28.12 69.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.162 -175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 41.9 mt-10 -64.28 -49.59 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.477 178.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -66.83 -32.84 74.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.363 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.68 -51.24 70.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.777 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -65.01 -40.1 94.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.714 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 82.7 mtp180 -63.51 -35.85 81.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.489 178.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 57.4 tp -66.13 -39.7 90.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.66 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -56.67 -47.75 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.739 178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.83 -33.9 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.696 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.01 -47.11 66.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.107 -179.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -63.39 -35.72 81.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.445 178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -59.25 -50.34 74.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.804 174.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -43.86 96.89 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.106 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.424 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -61.04 -50.3 73.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.787 0.327 . . . . 0.0 110.344 179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.6 ' HB2' HG21 ' A' ' 809' ' ' THR . 52.8 ttp180 -63.74 -40.13 95.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.484 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 52.9 ttp -60.52 -54.66 42.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.063 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.66 95.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.256 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.672 HG21 ' HB ' ' A' ' 805' ' ' ILE . 87.9 m -63.72 -49.47 72.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.246 179.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.435 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 60.6 t30 -63.33 -36.58 84.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.419 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -65.03 -46.44 81.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.425 176.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.78 73.99 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.98 0.419 . . . . 0.0 110.578 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.643 175.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -75.29 -23.8 57.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.68 -178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -78.64 -6.56 56.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.208 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -70.67 89.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 49.7 mm -73.45 102.18 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.064 177.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -91.96 115.41 28.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.449 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.627 -0.701 . . . . 0.0 109.568 175.877 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.762 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 7.0 tp -113.3 127.31 70.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.0 0.429 . . . . 0.0 110.226 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . 0.706 ' HB2' ' HD1' ' A' ' 785' ' ' PHE . 3.9 p-10 -87.72 137.12 32.06 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.902 0.382 . . . . 0.0 110.45 -179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -87.81 19.45 1.35 Allowed 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 122.836 2.357 . . . . 0.0 112.271 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . 0.706 ' HD1' ' HB2' ' A' ' 783' ' ' ASP . 87.3 m-85 -86.74 -49.99 7.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 6.4 t -145.47 83.98 1.68 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 122.023 0.916 . . . . 0.0 110.521 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -101.75 16.74 24.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.527 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -141.55 128.9 21.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.362 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -144.58 154.67 43.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.672 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 8.9 t -100.75 -6.55 24.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.713 0.292 . . . . 0.0 110.9 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -65.4 -66.38 2.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.992 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -132.16 88.25 2.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.8 0.333 . . . . 0.0 110.232 176.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.433 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . -173.21 -125.61 0.85 Allowed Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.334 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.433 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 3.0 Cg_exo -75.11 129.46 12.27 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 123.268 2.645 . . . . 0.0 112.542 -177.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -87.17 154.37 20.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.345 175.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 61.39 -130.87 47.08 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.862 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -141.59 -25.46 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.749 0.274 . . . . 0.0 111.394 174.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.421 ' HB3' HD21 ' A' ' 836' ' ' LEU . 18.4 m-85 -119.86 2.02 11.03 Favored 'General case' 0 C--N 1.333 -0.13 0 O-C-N 122.438 -0.164 . . . . 0.0 110.863 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . 0.421 ' HA ' ' OG1' ' A' ' 802' ' ' THR . 37.6 t70 -67.11 -28.12 67.9 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -165.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -72.14 -38.29 69.26 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.79 178.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -78.78 -40.25 33.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.985 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 799' ' ' ASP . 32.8 p -64.94 -39.76 93.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.695 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -48.22 -47.88 35.34 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.277 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.475 ' O ' HG23 ' A' ' 808' ' ' VAL . 48.6 m -60.85 -51.73 68.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.666 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.815 HD12 HD12 ' A' ' 836' ' ' LEU . 58.9 mt -58.56 -54.72 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.374 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 806' ' ' LEU . 2.1 mm? -54.76 -46.06 74.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.403 0.144 . . . . 0.0 111.287 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.9 m -65.95 -44.93 83.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.284 -177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 86.2 t -69.27 -36.01 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.066 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.439 HG21 ' HB2' ' A' ' 898' ' ' ARG . 98.9 m -54.87 -53.38 56.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.966 0.412 . . . . 0.0 111.832 -179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -65.32 -24.9 67.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.652 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 86.3 m-20 -62.53 -27.68 69.33 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.685 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.455 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.0 mp -56.96 -43.28 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.422 177.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 894' ' ' ALA . 96.3 m-85 -70.82 -33.75 71.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.78 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 21.4 t -75.29 -27.73 59.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.495 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 19.3 m -82.79 -2.93 55.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.311 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 9.6 mmt -45.64 108.37 0.13 Allowed 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.502 0.501 . . . . 0.0 111.431 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 139.6 -45.09 1.03 Allowed Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -103.71 115.67 30.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.141 0.496 . . . . 0.0 110.283 177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.613 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.02 -46.82 82.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.393 -176.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -54.92 -45.67 79.79 Favored Glycine 0 CA--C 1.519 0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.386 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.4 tp10 -67.34 -43.48 81.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.884 0.342 . . . . 0.0 110.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 88.7 mtp -59.54 -47.9 83.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.764 0.316 . . . . 0.0 110.916 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.7 -37.14 79.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.368 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -60.46 -43.6 96.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.013 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 32.1 mm-40 -60.71 -42.36 97.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 110.544 179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.467 ' HB1' HG13 ' A' ' 871' ' ' VAL . . . -61.31 -36.48 80.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.257 177.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -59.1 -46.78 87.43 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.076 0.465 . . . . 0.0 110.286 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.42 -43.26 93.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.386 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.1 -43.49 98.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.031 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -57.22 -45.19 84.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.871 0.367 . . . . 0.0 110.538 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -64.33 -49.46 71.64 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.822 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.23 -49.18 75.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.94 -176.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.593 HG23 ' HG ' ' A' ' 863' ' ' LEU . 42.9 m -60.24 -41.6 93.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.4 m -61.23 -43.14 99.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.077 0.465 . . . . 0.0 110.295 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.01 -41.49 90.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.625 177.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.815 HD12 HD12 ' A' ' 805' ' ' ILE . 0.3 OUTLIER -62.34 -46.68 87.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.45 179.906 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.57 HG13 ' HB1' ' A' ' 860' ' ' ALA . 73.4 t -55.48 -43.93 74.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.756 0.312 . . . . 0.0 110.689 179.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -60.79 -45.92 92.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.696 177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.65 -41.07 98.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.033 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 836' ' ' LEU . 75.7 mt -63.8 -46.9 93.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.667 177.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.426 ' O ' ' HG2' ' A' ' 845' ' ' GLU . 98.2 mttt -58.76 -43.11 90.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.703 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.27 83.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.038 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -70.41 -32.57 70.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.319 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.05 -34.66 78.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.747 175.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 49.9 mm-40 -70.17 -34.04 72.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.139 0.495 . . . . 0.0 110.271 176.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -92.69 10.03 74.7 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.431 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.7 tp10 -88.92 142.92 27.24 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 10.0 m -78.82 -29.14 44.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.867 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.485 ' HB2' ' HB3' ' A' ' 852' ' ' ASN . 27.2 m-20 -91.05 107.12 18.99 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.152 -177.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -61.97 -42.19 98.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.618 -177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -60.95 -34.82 75.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.394 0.616 . . . . 0.0 110.216 177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.485 ' HB3' ' HB2' ' A' ' 849' ' ' ASP . 63.8 t30 -77.43 -32.68 54.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.266 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.486 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 40.5 m -56.72 -41.65 77.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.223 0.535 . . . . 0.0 109.904 174.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 854' ' ' ARG . 22.5 mtp180 -68.6 -33.33 73.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.268 178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -66.14 -43.62 86.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.032 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 96.3 mt -60.36 -46.89 88.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.299 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 853' ' ' SER . 97.8 mt -58.9 -39.2 80.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.806 177.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.0 t -64.67 -48.15 75.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.135 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.14 -42.31 90.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.911 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.57 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -60.42 -40.9 92.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.764 177.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.24 -52.42 54.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.606 178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.2 mt -55.85 -41.95 68.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.375 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.593 ' HG ' HG23 ' A' ' 833' ' ' THR . 6.8 tp -59.97 -56.82 16.98 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.853 175.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.421 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.84 -29.23 62.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 869' ' ' LYS . 46.7 m-20 -82.58 -45.33 14.74 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.802 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.7 -30.74 65.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.099 0.476 . . . . 0.0 109.857 175.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.424 ' O ' HG23 ' A' ' 871' ' ' VAL . 29.6 m -67.58 -52.8 34.26 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.823 177.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.84 70.58 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.857 -177.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 865' ' ' ASP . 51.2 mtpt -63.49 -51.64 64.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.139 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 7.1 ptm -72.68 -30.74 64.5 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.287 -174.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.467 HG13 ' HB1' ' A' ' 826' ' ' ALA . 53.5 t -64.82 -44.24 96.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.781 0.324 . . . . 0.0 110.58 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -72.0 -34.74 69.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.628 178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.67 -41.32 92.63 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.23 -44.52 96.37 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.56 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -51.74 -52.87 45.38 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.68 -41.65 82.9 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.033 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.98 68.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.177 0.513 . . . . 0.0 111.059 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.613 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.34 -67.39 0.8 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.566 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -57.92 -34.23 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.507 -173.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -107.66 83.12 1.51 Allowed Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 172.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.566 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 9.7 Cg_exo -70.23 -27.09 24.65 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.882 2.388 . . . . 0.0 112.549 -171.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -74.26 -25.69 59.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.065 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 39.2 m -72.7 122.58 21.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.813 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -93.55 -30.6 14.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.597 -175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 mt-10 -60.71 -40.48 92.4 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.93 -38.16 81.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.097 177.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 54.7 mm-40 -63.29 -45.82 89.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.087 0.47 . . . . 0.0 110.07 -178.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -65.09 -43.74 91.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.1 mtt180 -61.66 -37.13 82.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.447 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.455 HD21 ' CG2' ' A' ' 812' ' ' ILE . 53.1 tp -65.27 -39.95 93.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.642 178.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 68.8 mtp180 -53.63 -46.77 70.6 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.988 0.423 . . . . 0.0 110.631 178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -75.52 -44.81 41.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.457 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.48 78.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.571 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 813' ' ' PHE . . . -68.47 -41.02 80.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.438 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -67.8 -28.8 67.89 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.728 177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -69.91 -39.04 75.44 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.377 174.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.41 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -67.48 -45.43 75.91 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 175.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.439 ' HB2' HG21 ' A' ' 809' ' ' THR . 70.9 ttt180 -53.78 -48.85 69.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.379 175.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 20.4 ttt -62.36 -47.11 85.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.368 177.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -58.28 -48.85 79.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.911 0.386 . . . . 0.0 111.383 -178.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . . . . . . . . . 16.6 m -67.44 -45.33 76.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.718 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.72 -40.61 88.6 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.51 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -65.14 -49.37 70.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.466 177.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.73 -35.41 74.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.058 0.456 . . . . 0.0 110.885 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . . . . . . . . . . . -58.63 -52.36 66.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.846 177.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -79.01 -22.64 45.18 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.594 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 18.2 t-20 -59.88 -45.86 91.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.654 -177.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -47.51 110.0 0.27 Allowed 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.987 0.804 . . . . 0.0 111.605 -178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 4.6 mp -76.83 123.35 33.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.427 -177.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -93.91 120.85 34.72 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.961 175.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.671 176.791 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 111.399 -0.681 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 4.5 mp -115.19 90.17 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.162 0.506 . . . . 0.0 110.468 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -99.18 113.59 64.85 Favored Pre-proline 0 C--N 1.321 -0.653 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.74 107.8 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.959 2.439 . . . . 0.0 112.371 -176.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -89.48 93.22 9.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.316 -178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 5.9 m 56.08 40.38 30.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.883 0.849 . . . . 0.0 110.395 178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -83.11 49.93 1.64 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.947 -175.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -123.11 83.03 2.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.701 177.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -131.3 20.01 4.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.144 -179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 17.7 m -89.31 90.6 8.4 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.301 -179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -123.51 5.64 9.27 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.234 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 58.4 84.38 0.11 Allowed 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.062 0.545 . . . . 0.0 111.747 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -77.39 144.07 28.99 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.039 177.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.85 171.06 12.84 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.793 2.328 . . . . 0.0 112.191 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 799' ' ' ASP . . . -88.72 85.34 6.77 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.886 0.374 . . . . 0.0 110.47 -177.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -76.74 48.39 2.63 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.815 -177.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.681 ' HB3' ' HB1' ' A' ' 908' ' ' ALA . 28.7 tpt180 -106.31 -54.55 2.46 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 178.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 797' ' ' ARG . 6.6 m-85 -120.69 12.85 11.51 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 795' ' ' ALA . 30.2 t70 -67.31 -29.21 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.983 -168.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.08 -42.51 76.09 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.09 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -76.22 -41.39 49.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.13 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.456 HG22 HD11 ' A' ' 836' ' ' LEU . 19.9 p -62.74 -47.38 83.82 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.409 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -49.94 -42.71 49.03 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.151 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.7 m -60.49 -52.16 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.676 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.814 HD12 HD12 ' A' ' 836' ' ' LEU . 65.3 mt -62.69 -51.61 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.578 -178.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 806' ' ' LEU . 1.7 mm? -53.58 -40.63 65.8 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.644 0.259 . . . . 0.0 111.16 -178.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 24.3 m -76.05 -48.82 19.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.583 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.449 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 96.2 t -63.95 -30.95 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.809 -0.178 . . . . 0.0 111.208 -176.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.691 HG21 ' HB2' ' A' ' 898' ' ' ARG . 58.6 m -52.84 -47.75 67.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.072 0.463 . . . . 0.0 111.455 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -62.5 -25.91 68.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.691 -178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.449 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 83.3 m-20 -72.09 -23.62 61.37 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -172.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.59 HG13 ' HB2' ' A' ' 825' ' ' GLN . 3.1 mp -61.81 -37.9 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.233 0.539 . . . . 0.0 109.931 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -72.12 -27.14 62.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.595 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 12.2 m -76.03 -27.92 57.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.294 0.569 . . . . 0.0 110.321 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 74.1 m -82.67 -3.35 56.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.558 178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 11.0 mmt -48.48 128.52 14.91 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 119.38 -52.05 0.73 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.38 -177.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 822' ' ' MET . 35.2 t70 -101.21 113.23 26.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.973 0.416 . . . . 0.0 109.887 176.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.474 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -63.94 -47.63 79.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.557 -173.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -52.73 -44.95 60.78 Favored Glycine 0 CA--C 1.521 0.435 0 CA-C-N 116.035 -0.53 . . . . 0.0 113.707 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.8 tt0 -67.94 -37.4 81.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 117.029 0.414 . . . . 0.0 111.003 -178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.447 ' HG3' ' O ' ' A' ' 818' ' ' ASP . 87.2 mtp -58.85 -45.75 89.37 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.084 0.468 . . . . 0.0 110.507 178.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.649 HG22 ' HA ' ' A' ' 875' ' ' LYS . 70.6 t -66.01 -33.89 66.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.734 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.49 ' O ' HG13 ' A' ' 828' ' ' ILE . 38.6 ttp180 -62.01 -42.47 99.19 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.59 ' HB2' HG13 ' A' ' 812' ' ' ILE . 77.7 mm-40 -61.91 -43.4 98.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.666 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -60.22 -39.08 85.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.038 178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -64.13 -35.31 80.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.539 178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 824' ' ' ARG . 71.7 mt -64.5 -47.47 89.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.963 176.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . . . . . . . . . 73.9 mt -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.0 83.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.822 178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -65.37 -47.46 76.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.443 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.07 93.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.285 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.496 HG23 ' HG ' ' A' ' 863' ' ' LEU . 85.4 m -61.67 -39.0 89.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.584 178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.3 m -64.14 -44.4 92.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.543 -178.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.42 -37.92 89.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.198 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.814 HD12 HD12 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -63.75 -49.09 74.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.069 177.491 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.696 HG13 ' HB1' ' A' ' 860' ' ' ALA . 76.4 t -59.39 -41.76 85.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.001 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -59.23 -41.95 89.91 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.973 0.416 . . . . 0.0 110.626 177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.33 -50.64 64.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.856 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 836' ' ' LEU . 70.4 mt -58.1 -47.81 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.913 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -58.81 -52.06 67.34 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.819 -178.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.41 82.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -68.71 -38.9 80.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.02 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.453 ' HB2' ' HB2' ' A' ' 856' ' ' LEU . . . -64.86 -33.18 75.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.273 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.44 -32.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.917 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -87.51 -25.13 33.96 Favored Glycine 0 CA--C 1.517 0.208 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.657 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 9.9 tp10 -60.39 132.63 54.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.864 0.364 . . . . 0.0 110.695 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.9 m -92.97 -5.79 49.89 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.646 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.464 ' OD1' ' HG2' ' A' ' 851' ' ' GLU . 13.6 t70 -88.76 108.45 19.5 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 850' ' ' LEU . 0.8 OUTLIER -59.35 -47.23 86.2 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.808 -170.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.464 ' HG2' ' OD1' ' A' ' 849' ' ' ASP . 9.4 pt-20 -67.29 -33.88 76.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.002 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.532 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.7 t30 -68.54 -39.06 81.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.856 178.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 67.8 m -60.19 -49.33 78.07 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.059 0.457 . . . . 0.0 110.565 178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -63.45 -38.48 91.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.828 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 855' ' ' LYS . 35.0 ttpt -62.74 -46.29 88.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.51 179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 97.7 mt -61.03 -49.04 78.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.47 -30.92 71.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 111.455 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 50.5 m -77.46 -36.07 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.746 177.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -65.52 -42.49 91.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.496 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.696 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -59.57 -41.41 90.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.26 176.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -58.65 -50.93 72.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.009 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.24 -48.34 89.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.778 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.496 ' HG ' HG23 ' A' ' 833' ' ' THR . 11.2 tp -58.1 -55.77 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.739 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.17 -27.93 49.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.868 0.366 . . . . 0.0 111.481 -175.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -81.29 -37.83 27.81 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.396 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -60.48 -33.78 73.09 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.433 ' OG1' HG21 ' A' ' 833' ' ' THR . 5.8 m -72.86 -42.31 63.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.165 176.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.45 -44.52 80.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.974 0.416 . . . . 0.0 110.29 175.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 27.9 mttp -60.66 -53.97 50.93 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.138 173.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 894' ' ' ALA . 11.8 tpt -55.52 -52.47 63.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.496 -1.229 . . . . 0.0 112.194 -175.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.491 ' HA ' ' HB1' ' A' ' 826' ' ' ALA . 40.9 t -59.0 -49.09 84.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.696 -175.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -71.67 -29.57 64.75 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.994 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.65 -42.18 71.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.746 0.308 . . . . 0.0 110.198 176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.38 -46.67 89.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.346 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.649 ' HA ' HG22 ' A' ' 823' ' ' VAL . 54.2 mtpt -58.44 -47.28 84.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.447 176.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -64.76 -47.07 87.28 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.911 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.506 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -67.7 -27.72 67.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.149 0.499 . . . . 0.0 111.065 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.474 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -77.05 -63.48 1.35 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.684 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.548 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -64.78 -30.1 71.09 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.283 -175.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . 0.547 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 38.8 m80 -105.72 85.58 1.54 Allowed Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 170.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 16.7 Cg_exo -66.93 -57.86 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.839 2.359 . . . . 0.0 112.751 -170.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -74.98 -3.99 35.57 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.736 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.547 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 21.1 m -74.68 97.6 3.25 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.032 0.444 . . . . 0.0 110.574 -178.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.72 -30.06 69.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.076 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.93 -48.01 83.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.999 0.428 . . . . 0.0 109.862 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 14.4 mm100 -66.48 -41.65 88.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.493 179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -57.34 -50.74 71.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.51 177.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 892' ' ' GLU . 58.0 tp60 -58.56 -48.96 79.17 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.799 178.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -57.99 -41.45 83.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.492 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.01 -43.44 95.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.667 178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 89.4 mtt180 -57.8 -40.97 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.278 0.561 . . . . 0.0 110.186 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 888' ' ' GLN . 41.7 mt-10 -73.41 -43.65 60.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.13 62.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -176.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . 0.466 ' HA ' ' SD ' ' A' ' 870' ' ' MET . . . -62.78 -50.38 71.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.312 . . . . 0.0 111.132 -178.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.15 -28.49 67.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.508 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -71.49 -38.61 61.92 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.646 174.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.589 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.4 tm? -63.42 -46.87 84.34 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 174.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.691 ' HB2' HG21 ' A' ' 809' ' ' THR . 51.1 ttp180 -57.73 -47.34 82.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.06 175.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 26.0 ttt -58.4 -47.46 83.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.346 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.24 -45.83 92.89 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.935 0.398 . . . . 0.0 110.941 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.52 HG21 ' HB ' ' A' ' 805' ' ' ILE . 30.7 m -66.36 -43.7 85.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.937 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 33.2 t-20 -58.2 -46.0 86.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.774 179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.68 99.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.055 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -63.32 -29.98 71.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.519 177.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -63.05 -39.53 95.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.766 176.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -78.1 -23.51 47.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.993 177.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -70.89 -14.41 62.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.228 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 797' ' ' ARG . . . -72.39 96.58 1.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.673 178.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 63.6 mt -118.93 96.58 4.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 120.87 0.367 . . . . 0.0 111.074 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.427 ' HE3' ' HB3' ' A' ' 910' ' ' LYS . 16.1 ttpp -143.93 119.15 10.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.044 173.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt . . . . . 0 C--O 1.244 0.787 0 CA-C-O 118.655 -0.688 . . . . 0.0 109.886 176.838 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.56 -0.616 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 16.3 pt -64.01 139.58 21.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 12.5 t70 66.67 114.07 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 123.926 0.766 . . . . 0.0 110.459 -174.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -79.19 30.38 0.47 Allowed 'Trans proline' 0 CA--C 1.53 0.285 0 C-N-CA 122.892 2.394 . . . . 0.0 113.17 -174.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 58.65 36.33 24.95 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.056 0.455 . . . . 0.0 110.191 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 30.3 m 67.1 93.13 0.07 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.574 -177.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -96.86 -16.92 20.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.873 177.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -131.48 124.29 29.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.68 176.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -64.14 -48.32 76.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.161 0.505 . . . . 0.0 110.15 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 16.5 m -80.5 106.4 12.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.827 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 130.08 -35.46 2.52 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -96.16 -34.29 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.005 0.431 . . . . 0.0 110.325 175.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 71.41 -142.85 34.67 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.356 178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -70.04 114.54 3.78 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.55 2.167 . . . . 0.0 111.767 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -117.45 150.32 39.1 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 117.68 -20.91 10.77 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.054 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -116.35 -62.58 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 117.244 0.522 . . . . 0.0 111.49 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -86.75 -47.01 9.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.31 -170.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.86 -34.42 77.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.412 -170.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.84 -45.38 86.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.107 0.48 . . . . 0.0 110.245 178.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -72.38 -44.16 62.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.049 -178.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.868 HG21 ' HB2' ' A' ' 905' ' ' ALA . 46.7 p -67.26 -44.72 78.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.446 -177.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -59.57 -35.89 75.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.216 0.531 . . . . 0.0 109.803 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.447 ' O ' HG23 ' A' ' 808' ' ' VAL . 93.0 m -67.34 -58.02 5.55 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.344 174.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.75 HG23 HD22 ' A' ' 829' ' ' LEU . 81.7 mt -55.79 -46.6 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 C-N-CA 122.318 0.247 . . . . 0.0 111.614 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 4.0 mp -56.31 -42.36 77.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.918 0.389 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 31.0 m -76.69 -39.28 52.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.582 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.601 HG13 HE21 ' A' ' 825' ' ' GLN . 74.8 t -65.65 -37.22 79.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 122.045 -0.409 . . . . 0.0 110.596 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.685 HG21 ' HB2' ' A' ' 898' ' ' ARG . 93.4 m -57.74 -54.18 49.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.809 179.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -60.11 -25.52 65.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.199 0.523 . . . . 0.0 110.218 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -68.74 -21.83 64.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.987 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.51 HG21 HD11 ' A' ' 890' ' ' LEU . 2.4 mp -65.01 -38.65 83.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 173.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -72.81 -32.25 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.387 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 16.7 t -68.97 -39.81 79.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.972 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 16.3 m -83.08 -6.3 59.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.529 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.439 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.3 ttm -53.1 119.37 4.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.043 0.449 . . . . 0.0 110.735 -177.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 118.08 -0.27 16.98 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.478 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -134.68 117.02 15.6 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.623 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.11 -54.35 35.38 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.869 0.366 . . . . 0.0 111.703 -174.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.59 -46.19 93.58 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.066 -0.588 . . . . 0.0 113.205 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 39.9 tp10 -68.39 -35.2 77.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.572 0.225 . . . . 0.0 111.266 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.439 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -66.08 -44.68 83.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.651 0.262 . . . . 0.0 110.853 178.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 57.9 t -66.06 -36.72 78.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.117 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 821' ' ' GLU . 76.9 ttt180 -52.07 -52.28 52.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.62 175.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.601 HE21 HG13 ' A' ' 808' ' ' VAL . 15.4 mm100 -64.46 -39.31 93.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.996 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.41 -39.29 82.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.771 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 30.0 mtm180 -66.02 -36.55 83.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.693 0.283 . . . . 0.0 110.671 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.478 ' HB ' HG11 ' A' ' 808' ' ' VAL . 55.7 mt -61.61 -39.04 81.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.983 178.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.75 HD22 HG23 ' A' ' 805' ' ' ILE . 82.8 mt -62.31 -48.55 79.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.666 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.888 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -65.94 -49.97 66.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.151 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.28 85.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.629 -177.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.51 HG23 ' HG ' ' A' ' 863' ' ' LEU . 49.6 m -58.59 -34.97 71.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.078 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.7 m -58.65 -33.44 70.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.064 -177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.82 -43.93 67.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.876 0.37 . . . . 0.0 110.213 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.81 -46.02 89.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.097 178.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 833' ' ' THR . 90.4 t -55.88 -37.83 49.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.704 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -76.43 -49.91 15.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.389 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -63.44 -53.75 47.34 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.409 HG23 HD22 ' A' ' 856' ' ' LEU . 73.3 mt -60.02 -39.93 81.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.642 -177.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.495 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 38.8 ttmt -68.18 -43.21 78.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.737 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.65 93.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.58 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.29 -36.08 82.98 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.278 176.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.542 ' HB1' ' HG ' ' A' ' 857' ' ' LEU . . . -66.99 -39.26 87.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 177.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 52.4 mt-10 -72.96 -15.13 61.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.083 0.468 . . . . 0.0 110.452 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -93.55 -36.9 5.71 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.12 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -59.32 127.71 33.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.93 0.395 . . . . 0.0 110.81 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 39.5 m -82.15 -16.06 51.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.184 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.18 115.19 18.69 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -39.18 93.89 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 -177.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -67.44 -36.98 82.27 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -78.45 -36.66 45.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.557 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 18.5 p -69.86 -45.22 68.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.719 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -59.3 -38.05 79.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.629 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.413 ' HB3' ' HE2' ' A' ' 855' ' ' LYS . 36.8 ttpt -61.01 -51.31 69.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.405 178.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 844' ' ' ALA . 90.2 mt -62.92 -44.43 96.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.542 ' HG ' ' HB1' ' A' ' 844' ' ' ALA . 75.0 mt -59.12 -41.97 89.44 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.056 178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.9 m -68.32 -42.26 79.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.73 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.98 87.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.109 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.45 93.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.927 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -69.88 -43.51 71.64 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.617 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.8 -43.96 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.95 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.51 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.2 tp -58.09 -53.2 60.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.334 177.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -56.88 -33.77 67.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.969 0.414 . . . . 0.0 110.874 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -80.28 -35.44 35.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.412 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . 0.565 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -59.91 -36.24 76.58 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 173.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.454 ' OG1' HG21 ' A' ' 833' ' ' THR . 15.6 m -70.85 -46.52 62.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.072 178.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.12 -43.55 78.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.454 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -70.68 -45.42 65.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 0.0 110.285 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 9.7 tpt -58.34 -52.24 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.827 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 42.5 t -61.28 -45.68 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.709 -175.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -67.72 -37.57 82.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.3 82.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.508 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . 0.458 ' HA ' HD13 ' A' ' 890' ' ' LEU . . . -55.99 -44.07 78.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.281 176.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 871' ' ' VAL . 99.5 mttt -56.39 -51.81 66.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.878 0.37 . . . . 0.0 111.106 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.54 -40.17 86.42 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.596 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.52 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -69.35 -32.03 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.081 0.467 . . . . 0.0 111.111 -178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.623 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -73.42 -59.07 2.88 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 178.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -62.36 -30.04 70.9 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.471 -175.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -106.89 80.67 0.8 Allowed Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 170.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.5 -40.26 18.95 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.564 2.176 . . . . 0.0 112.844 -169.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -76.95 -18.14 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.078 -176.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 26.6 m -79.56 102.01 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.032 0.444 . . . . 0.0 111.216 -175.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 887' ' ' GLN . 42.0 mt-10 -73.57 -19.15 60.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.235 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -62.41 -39.56 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 174.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.52 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 12.7 mm100 -68.48 -40.81 80.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.003 174.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.512 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 78.0 mm-40 -59.48 -43.05 93.35 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.642 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -54.07 -53.82 47.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.37 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -56.15 -43.7 78.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.79 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.51 HD11 HG21 ' A' ' 812' ' ' ILE . 41.0 tp -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.112 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.5 mtt180 -61.18 -44.95 96.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.613 -174.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -70.23 -34.88 73.41 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -74.0 -41.85 61.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.9 99.41 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.997 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 891' ' ' ARG . 47.6 mt-10 -66.3 -38.84 88.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.164 178.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.02 95.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.691 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.565 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.6 tm? -64.21 -49.29 72.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.935 0.398 . . . . 0.0 110.267 176.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.685 ' HB2' HG21 ' A' ' 809' ' ' THR . 28.6 ttt180 -60.56 -43.22 97.51 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.1 ttp -64.75 -46.88 80.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.774 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.37 94.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.065 0.46 . . . . 0.0 110.843 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.663 HG21 ' HB ' ' A' ' 805' ' ' ILE . 43.9 m -64.26 -51.8 61.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.022 179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.496 ' O ' ' HG2' ' A' ' 906' ' ' GLN . 37.5 t-20 -58.19 -42.17 85.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.934 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -63.43 -44.75 93.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.995 177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.57 70.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.967 0.413 . . . . 0.0 110.602 176.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.868 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -63.44 -42.14 98.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.975 176.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 902' ' ' ASN . 64.0 mm-40 -70.9 -23.43 62.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.201 0.524 . . . . 0.0 110.422 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -78.25 -5.42 51.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.798 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -64.85 88.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.137 0.494 . . . . 0.0 110.927 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 47.0 mm -114.05 113.07 42.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.401 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -123.54 109.18 13.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.264 0.554 . . . . 0.0 110.695 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 80.3 mttt . . . . . 0 C--O 1.246 0.894 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.546 -177.386 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 12.8 mt -95.29 17.29 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 122.113 0.959 . . . . 0.0 108.966 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -79.78 158.85 72.55 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.328 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.26 139.26 89.25 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.908 2.405 . . . . 0.0 112.652 179.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -112.27 -176.2 2.86 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.174 176.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 15.1 m -65.47 -37.69 87.6 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 58.31 93.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.372 -1.285 . . . . 0.0 112.26 173.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 24.6 p80 -104.96 -4.58 21.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.27 0.557 . . . . 0.0 109.965 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -76.78 145.03 38.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.993 175.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 40.7 p 48.73 42.7 20.09 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.295 0.638 . . . . 0.0 111.694 -177.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -151.6 35.82 0.86 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.83 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -119.22 -11.49 9.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.846 0.355 . . . . 0.0 110.957 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.447 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -160.85 141.51 7.42 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.565 ' HB2' ' HG2' ' A' ' 910' ' ' LYS . 5.4 Cg_exo -79.67 111.32 2.76 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.865 2.377 . . . . 0.0 112.296 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -107.66 118.26 36.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.264 -0.425 . . . . 0.0 109.952 175.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . 0.894 ' HA3' ' HA ' ' A' ' 910' ' ' LYS . . . -109.88 -124.06 4.73 Favored Glycine 0 N--CA 1.443 -0.884 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.416 -175.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 19.3 ttp-105 -85.56 -47.66 9.66 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -168.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.62 ' CD2' ' HB2' ' A' ' 908' ' ' ALA . 12.9 m-30 -94.4 -8.39 38.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.411 -0.515 . . . . 0.0 110.51 -177.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.1 -30.03 69.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.035 -170.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -72.6 -32.77 66.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.051 0.453 . . . . 0.0 110.571 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.65 -42.95 21.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.808 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.441 HG23 HD11 ' A' ' 836' ' ' LEU . 12.5 p -64.4 -34.14 77.48 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.573 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -52.55 -44.15 65.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.439 175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 808' ' ' VAL . 50.2 m -63.4 -54.73 32.11 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.696 178.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.54 HG23 HD22 ' A' ' 829' ' ' LEU . 76.4 mt -58.4 -49.11 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.756 0.313 . . . . 0.0 111.198 -178.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.6 mp -57.55 -44.73 85.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.323 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 34.2 m -69.91 -43.47 71.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.444 -0.343 . . . . 0.0 111.192 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.56 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 93.1 t -66.24 -31.1 52.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.547 0.213 . . . . 0.0 110.851 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 93.1 m -57.71 -42.83 84.57 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.772 176.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -56.37 -30.64 62.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.349 0.595 . . . . 0.0 110.157 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.56 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 0.9 OUTLIER -67.05 -32.51 73.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.135 -173.364 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.427 ' H ' HD12 ' A' ' 812' ' ' ILE . 4.2 mp -64.4 -36.34 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 -179.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.58 -26.69 55.33 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.613 178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.1 t -77.34 -33.76 55.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.604 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.5 p -83.38 -2.94 56.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.735 -178.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 8.6 mmt -42.46 105.37 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.598 0.561 . . . . 0.0 112.373 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.32 -24.52 5.3 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.186 -179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -98.25 106.69 19.01 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' A' ' 879' ' ' ALA . . . -65.59 -31.88 73.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 -173.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -76.7 -48.84 8.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.556 178.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.575 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 32.2 tt0 -67.73 -39.34 84.29 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -174.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.516 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 88.1 mtp -58.57 -40.76 84.03 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.917 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.701 HG22 ' HA ' ' A' ' 875' ' ' LYS . 54.3 t -69.12 -40.35 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.043 176.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.482 ' O ' HG13 ' A' ' 828' ' ' ILE . 74.6 ttt180 -56.23 -44.71 79.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.925 177.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 8.8 mm100 -69.56 -38.46 77.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.864 -178.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -39.21 80.57 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.895 0.378 . . . . 0.0 110.964 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -65.06 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.694 177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 824' ' ' ARG . 64.8 mt -65.71 -42.29 92.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 120.931 0.396 . . . . 0.0 109.976 176.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.54 HD22 HG23 ' A' ' 805' ' ' ILE . 52.1 mt -61.24 -50.52 72.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.707 176.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -54.72 -46.3 74.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -65.13 -43.86 90.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -66.02 -46.67 77.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 837' ' ' VAL . 53.9 m -58.98 -40.45 84.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.709 178.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.1 m -59.17 -43.87 92.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.328 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.54 -38.72 87.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.633 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.504 HD12 HD12 ' A' ' 805' ' ' ILE . 0.4 OUTLIER -68.68 -46.66 68.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.755 -178.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 833' ' ' THR . 83.5 t -57.72 -40.62 76.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.197 -178.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -59.71 -39.38 84.46 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.021 0.438 . . . . 0.0 110.761 176.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -69.22 -46.05 68.33 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.853 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 836' ' ' LEU . 61.6 mt -60.92 -47.38 93.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.468 ' HE3' ' CG1' ' A' ' 837' ' ' VAL . 98.7 mttt -58.82 -47.17 85.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.882 0.372 . . . . 0.0 111.022 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.56 -40.15 80.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.508 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.408 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 33.8 t70 -72.43 -31.48 65.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.973 0.416 . . . . 0.0 109.956 -178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.14 82.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.886 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.29 -15.88 61.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.104 0.478 . . . . 0.0 110.749 178.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -91.84 -2.99 68.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.057 -0.592 . . . . 0.0 111.755 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -78.0 148.25 34.48 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 122.511 0.324 . . . . 0.0 110.262 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.5 m -89.19 -28.03 20.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.925 0.393 . . . . 0.0 110.454 -179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.516 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 13.5 t70 -86.6 112.66 21.8 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 850' ' ' LEU . 2.3 tm? -63.98 -40.15 95.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.835 0.35 . . . . 0.0 110.797 -173.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -71.31 -39.55 71.35 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.42 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.516 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 12.6 t30 -68.04 -25.39 65.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.282 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 49.9 m -65.02 -46.0 83.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -65.38 -37.13 86.09 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.197 0.522 . . . . 0.0 109.72 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.449 ' HB3' ' HA ' ' A' ' 852' ' ' ASN . 79.3 tttt -56.26 -48.87 75.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.951 -1.022 . . . . 0.0 110.697 175.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.22 -49.7 76.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.009 174.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.2 mt -57.91 -34.87 70.3 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.432 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 36.6 t -58.51 -47.41 84.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.33 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -58.78 -43.44 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.9 91.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.059 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -62.65 -47.54 83.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 89.3 mt -63.62 -44.63 98.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.471 178.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.463 ' HG ' HG23 ' A' ' 833' ' ' THR . 8.2 tp -60.02 -57.48 12.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.757 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.83 -31.38 62.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.173 0.511 . . . . 0.0 110.936 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -78.87 -42.59 26.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.639 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.64 -26.65 68.13 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.086 0.47 . . . . 0.0 110.061 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.43 ' OG1' HG21 ' A' ' 833' ' ' THR . 17.5 m -73.01 -47.03 48.7 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.076 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.63 82.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -61.82 -49.85 74.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.296 175.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.558 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.7 tpt -55.02 -51.17 67.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.906 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.428 ' O ' ' HG3' ' A' ' 875' ' ' LYS . 40.0 t -58.36 -50.93 76.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.791 -176.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -63.91 -38.3 90.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 110.971 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.8 -45.07 83.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.69 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.91 -44.71 96.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.677 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.701 ' HA ' HG22 ' A' ' 823' ' ' VAL . 9.4 mtpm? -59.53 -47.69 84.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.039 178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . 0.429 ' O ' ' HB2' ' A' ' 880' ' ' HIS . . . -68.73 -40.49 85.34 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.754 -178.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -72.01 -26.85 62.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.047 0.451 . . . . 0.0 111.021 -178.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -75.66 -65.08 0.94 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.751 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.551 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -63.4 -29.78 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -175.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . 0.588 ' HB3' ' OG ' ' A' ' 883' ' ' SER . 58.4 m-70 -107.06 81.66 0.99 Allowed Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 169.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.551 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 19.4 Cg_exo -65.81 -49.21 2.36 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.676 2.251 . . . . 0.0 112.89 -170.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.78 -7.9 56.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.545 . . . . 0.0 112.217 -174.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.588 ' OG ' ' HB3' ' A' ' 880' ' ' HIS . 53.8 m -67.54 108.61 2.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 0.0 111.358 -177.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . 0.586 ' H ' ' CD ' ' A' ' 884' ' ' GLU . 1.6 mp0 -57.35 -47.94 80.29 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.036 -177.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 34.4 tt0 -67.59 -35.82 79.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.746 -175.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 15.7 mm100 -65.14 -41.15 95.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.727 0.299 . . . . 0.0 110.313 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.502 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.2 mm-40 -62.47 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.067 175.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 57.8 tp60 -61.67 -46.04 91.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 92.5 mtt180 -55.2 -44.31 75.2 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.371 176.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.413 HD21 ' CG2' ' A' ' 812' ' ' ILE . 43.8 tp -65.87 -41.68 91.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.222 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 75.7 mtp180 -61.42 -31.78 71.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -79.99 -47.32 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.97 176.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.558 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.16 -43.93 85.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.933 -176.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 898' ' ' ARG . . . -63.82 -42.13 97.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.68 -0.237 . . . . 0.0 110.94 -178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -65.51 -33.59 76.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.312 . . . . 0.0 110.539 176.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -66.45 -51.2 44.44 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.477 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -57.35 -45.84 83.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.363 0.602 . . . . 0.0 109.764 176.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.502 ' HB2' ' O ' ' A' ' 894' ' ' ALA . 46.7 ttt180 -55.96 -53.76 52.97 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.693 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 55.3 ttp -63.51 -44.49 94.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.98 -46.13 90.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.996 0.427 . . . . 0.0 110.975 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.501 HG21 ' HB ' ' A' ' 805' ' ' ILE . 18.5 m -68.87 -42.08 77.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.734 179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 24.8 t-20 -61.15 -42.27 98.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.418 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -63.07 -48.02 80.45 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.579 176.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -59.14 -34.74 72.42 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.076 0.465 . . . . 0.0 110.584 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -59.62 -54.06 50.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.986 176.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -76.19 -23.75 54.68 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.853 -177.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 7.6 t-20 -65.57 -40.93 93.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.743 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.62 ' HB2' ' CD2' ' A' ' 798' ' ' TYR . . . -62.0 119.05 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.503 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 50.9 mm -56.06 133.72 20.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.417 171.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.894 ' HA ' ' HA3' ' A' ' 796' ' ' GLY . 3.7 mptp? -85.53 46.93 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.193 0.52 . . . . 0.0 111.691 -173.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . 0.465 ' HE3' ' HB2' ' A' ' 911' ' ' LYS . 20.3 ptmt . . . . . 0 C--O 1.247 0.927 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.314 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . 0.869 ' HA2' HG22 ' A' ' 808' ' ' VAL . . . . . . . . 0 N--CA 1.483 1.769 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . . . . . . . . . 42.1 mm -89.25 73.53 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 170.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -88.24 146.24 37.65 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.821 -1.081 . . . . 0.0 109.356 -176.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 785' ' ' PHE . 74.2 Cg_endo -74.02 176.89 8.89 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 122.384 2.056 . . . . 0.0 113.458 -173.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 784' ' ' PRO . 92.3 m-85 73.46 -56.94 0.64 Allowed 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.028 -177.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 13.3 t -105.84 158.96 16.38 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 54.84 68.67 0.83 Allowed 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 177.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -81.36 -13.24 58.55 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -140.56 122.65 15.68 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.32 174.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 7.7 m -79.38 -56.11 4.57 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.21 -176.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 159.61 60.7 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -80.1 136.21 36.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.709 0.29 . . . . 0.0 110.452 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 145.29 -135.27 5.91 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.86 -179.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.07 118.37 5.24 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.843 2.362 . . . . 0.0 112.254 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -119.47 143.74 47.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.632 179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -138.17 113.84 1.01 Allowed Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.073 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 64.93 -91.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.272 0.629 . . . . 0.0 111.581 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.427 ' HB3' HD21 ' A' ' 836' ' ' LEU . 1.6 m-85 -139.06 20.17 2.62 Favored 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 121.206 -0.198 . . . . 0.0 110.692 -175.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -66.19 -38.45 88.04 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.634 -167.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.34 -43.04 58.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.953 0.406 . . . . 0.0 109.963 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.29 -47.42 86.11 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.719 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.514 HG22 HD11 ' A' ' 836' ' ' LEU . 34.2 p -65.95 -49.19 68.77 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.314 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.73 -37.05 62.95 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.695 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.656 ' O ' HG23 ' A' ' 808' ' ' VAL . 54.2 m -56.6 -56.35 22.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.127 175.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.743 HD12 HD12 ' A' ' 836' ' ' LEU . 69.3 mt -61.39 -45.8 97.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.319 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.572 HD11 ' HB2' ' A' ' 902' ' ' ASN . 1.4 mm? -53.16 -45.44 68.44 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 29.8 m -67.99 -42.41 80.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.489 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.869 HG22 ' HA2' ' A' ' 781' ' ' GLY . 47.9 t -64.9 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 121.088 -0.245 . . . . 0.0 110.628 -179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.408 HG21 ' HB2' ' A' ' 898' ' ' ARG . 96.6 m -53.56 -52.99 57.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.448 -176.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -64.53 -24.66 67.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.176 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -66.72 -24.05 66.18 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.767 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.413 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.6 mp -61.4 -36.8 75.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.154 177.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.46 -28.01 61.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.705 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 7.8 m -71.72 -41.31 68.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.22 0.533 . . . . 0.0 110.082 176.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.6 t -82.58 -8.69 59.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.154 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.629 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 46.4 ttm -50.1 111.39 0.51 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.318 -174.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.25 -23.93 3.81 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.622 -177.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.59 121.13 41.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.986 0.422 . . . . 0.0 110.286 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.61 ' HB1' ' HA ' ' A' ' 879' ' ' ALA . . . -64.54 -33.92 77.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.26 -175.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -77.78 -56.95 3.66 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 121.105 -0.569 . . . . 0.0 113.707 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 824' ' ' ARG . 44.3 mm-40 -68.19 -30.93 70.14 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -171.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.629 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 82.2 mtp -63.75 -41.2 98.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.569 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 81.3 t -68.92 -34.73 65.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.485 ' O ' HG13 ' A' ' 828' ' ' ILE . 52.9 ttt180 -54.56 -53.42 54.73 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.302 175.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.533 ' HA ' HD12 ' A' ' 828' ' ' ILE . 77.8 mm-40 -62.29 -40.37 96.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.52 96.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 178.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -64.64 -37.3 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 825' ' ' GLN . 84.7 mt -61.61 -44.68 99.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.265 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.564 HD22 HG23 ' A' ' 805' ' ' ILE . 52.6 mt -59.35 -46.67 87.99 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 176.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.492 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -57.04 -50.49 72.6 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.089 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.23 -44.19 89.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.83 -45.85 90.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.281 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.543 HG21 ' OG1' ' A' ' 867' ' ' THR . 85.7 m -61.51 -36.21 79.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.8 m -60.25 -45.47 93.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.573 -177.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -69.42 -39.03 78.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.643 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.743 HD12 HD12 ' A' ' 805' ' ' ILE . 0.5 OUTLIER -62.42 -47.54 83.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.257 179.479 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.681 HG13 ' HB1' ' A' ' 860' ' ' ALA . 73.4 t -59.69 -41.0 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.906 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -60.27 -44.45 95.31 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.923 0.392 . . . . 0.0 110.48 176.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.1 99.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.977 179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 836' ' ' LEU . 76.4 mt -62.79 -46.83 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 178.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 837' ' ' VAL . 68.8 mttm -57.32 -46.02 83.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.144 0.497 . . . . 0.0 110.772 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.06 82.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.203 -178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -68.8 -42.49 77.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.344 0.593 . . . . 0.0 109.648 179.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -60.63 -28.41 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.316 179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -66.52 -35.69 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -81.86 -23.86 56.76 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.65 -177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -69.48 125.93 28.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.066 0.46 . . . . 0.0 110.696 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.4 m -81.58 -22.13 37.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.255 179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -79.88 105.21 11.0 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.753 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.406 ' HA ' ' HB3' ' A' ' 853' ' ' SER . 4.3 mp -63.25 -34.64 78.11 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -177.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 855' ' ' LYS . 41.1 mt-10 -60.51 -51.63 68.64 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.633 HD21 HG12 ' A' ' 909' ' ' ILE . 62.2 t30 -65.32 -41.09 94.34 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.625 176.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 850' ' ' LEU . 48.4 t -60.94 -51.26 70.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.771 -177.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 -64.8 -33.39 75.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.144 -179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.518 ' HZ2' ' HA ' ' A' ' 852' ' ' ASN . 9.8 mtmp? -65.68 -37.86 87.66 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 121.115 -0.234 . . . . 0.0 110.649 177.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.36 -49.93 74.96 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.917 0.389 . . . . 0.0 110.475 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.58 -39.75 92.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.2 178.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 47.7 m -65.67 -43.25 89.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.553 178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.78 -41.73 97.88 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.917 178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.681 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.68 -39.36 91.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.702 177.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -63.95 -47.28 81.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 81.2 mt -58.8 -46.97 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.556 176.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.9 -57.02 14.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.475 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.47 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.77 -26.97 58.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.958 0.409 . . . . 0.0 111.268 -176.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -84.74 -35.19 22.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.312 179.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . 0.453 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -60.18 -38.1 82.21 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 174.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.543 ' OG1' HG21 ' A' ' 833' ' ' THR . 6.0 m -65.08 -43.57 91.73 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.881 175.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -57.01 -47.39 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.767 0.318 . . . . 0.0 111.012 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -64.33 -48.15 76.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.532 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.4 tpt -55.76 -52.73 62.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.574 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.492 HG21 ' HB2' ' A' ' 830' ' ' ALA . 44.3 t -60.48 -46.01 96.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.595 -177.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -65.45 -37.63 87.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.546 0.212 . . . . 0.0 111.346 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.39 77.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.503 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.61 96.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.163 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -55.42 -50.33 70.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.908 0.385 . . . . 0.0 110.746 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.59 -41.0 66.26 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.731 -177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.07 -32.09 70.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.062 0.458 . . . . 0.0 111.066 -177.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.472 ' CB ' ' HB2' ' A' ' 822' ' ' MET . . . -72.78 -64.25 1.0 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.61 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -61.27 -31.52 71.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.346 -174.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -106.59 81.69 0.9 Allowed Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 170.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 22.8 Cg_exo -63.65 -48.53 5.49 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.86 2.373 . . . . 0.0 113.064 -166.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -76.14 -3.56 36.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.965 -0.562 . . . . 0.0 112.175 -174.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.505 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 32.8 t -77.05 96.15 4.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.138 0.494 . . . . 0.0 110.14 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -71.45 -22.7 61.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.349 -177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -65.66 -39.34 91.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 0.0 109.938 176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.9 -38.01 67.05 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.064 175.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 883' ' ' SER . 76.3 mm-40 -57.84 -45.9 85.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.216 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -60.53 -44.74 95.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.153 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -62.34 -38.82 90.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 0.0 110.321 176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.413 HD21 ' CG2' ' A' ' 812' ' ' ILE . 63.4 tp -63.05 -42.5 99.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.77 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 73.7 mtt180 -56.35 -44.27 79.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.922 178.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -73.72 -39.63 64.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.64 -47.04 73.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.296 -179.234 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.78 99.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.265 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.85 -36.99 86.13 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.085 -0.246 . . . . 0.0 110.776 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.38 -40.91 86.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.66 -0.781 . . . . 0.0 111.76 177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.453 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.9 tm? -64.04 -46.93 82.22 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 175.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.408 ' HB2' HG21 ' A' ' 809' ' ' THR . 42.4 ttt180 -58.63 -47.04 85.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.649 178.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 21.8 ttt -58.24 -50.82 72.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.223 176.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -60.99 -45.69 93.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.833 0.349 . . . . 0.0 111.285 -178.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.592 HG21 ' HB ' ' A' ' 805' ' ' ILE . 51.1 m -63.47 -48.36 77.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.12 0.486 . . . . 0.0 110.911 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.572 ' HB2' HD11 ' A' ' 806' ' ' LEU . 63.4 t30 -65.16 -28.69 69.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.162 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -72.75 -44.49 61.57 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -58.49 -37.02 74.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.057 0.456 . . . . 0.0 110.094 174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -55.78 -44.84 78.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.724 174.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -78.52 -23.57 46.2 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.275 -176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -78.65 -8.04 58.27 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.276 179.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -54.34 127.3 26.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . 0.633 HG12 HD21 ' A' ' 852' ' ' ASN . 53.0 mt -59.18 110.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.134 -177.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -148.86 103.25 3.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.69 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.247 0.955 0 O-C-N 123.96 0.787 . . . . 0.0 110.456 -177.765 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 111.626 -0.59 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 782' ' ' ILE . 11.1 tp -101.67 13.85 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.776 0.798 . . . . 0.0 110.564 -174.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -126.57 92.43 45.09 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.749 176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.66 28.01 0.59 Allowed 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 123.005 2.47 . . . . 0.0 112.711 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -122.78 -52.26 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.178 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.0 m -89.11 78.62 7.36 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.059 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -156.68 151.75 26.24 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.471 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -113.63 95.95 5.61 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 174.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -119.51 140.27 50.77 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.353 -175.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 6.8 p -83.61 -14.35 52.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.642 177.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -93.31 139.87 14.8 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.633 177.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 65.57 90.0 0.09 Allowed 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.282 0.563 . . . . 0.0 110.98 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -111.39 159.0 13.99 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.797 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.05 134.95 38.77 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.884 2.389 . . . . 0.0 111.951 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.684 ' HA ' ' HB2' ' A' ' 800' ' ' GLN . . . -102.27 111.05 23.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.782 -178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -78.49 108.64 2.69 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.696 -0.764 . . . . 0.0 111.791 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 24.1 mmm-85 54.38 38.56 29.76 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.227 0.537 . . . . 0.0 111.417 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.73 ' CE2' HG12 ' A' ' 840' ' ' ILE . 0.2 OUTLIER 77.07 -18.88 0.46 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.08 170.167 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -67.8 -38.25 83.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -170.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . 0.684 ' HB2' ' HA ' ' A' ' 795' ' ' ALA . 19.7 mt-30 -70.79 -29.17 65.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.902 -178.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.47 22.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.917 0.389 . . . . 0.0 110.312 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.792 HG21 ' HB2' ' A' ' 905' ' ' ALA . 38.2 p -64.99 -37.24 87.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.614 179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -46.7 -43.98 18.33 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.048 0.451 . . . . 0.0 111.023 175.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 808' ' ' VAL . 18.8 m -63.8 -52.12 61.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.624 177.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.652 ' HB ' HG21 ' A' ' 901' ' ' THR . 62.7 mt -60.31 -49.87 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.505 -178.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.514 ' CD1' ' HG3' ' A' ' 898' ' ' ARG . 1.1 mm? -54.92 -39.01 68.37 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.739 0.304 . . . . 0.0 110.995 -179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.7 m -76.05 -44.41 39.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.651 -178.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.617 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 97.4 t -68.1 -31.05 50.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 121.121 -0.232 . . . . 0.0 111.072 -178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 898' ' ' ARG . 53.5 m -54.01 -53.22 55.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 111.92 179.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.8 -24.36 66.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.94 -176.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.617 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 96.0 m-20 -58.3 -29.93 66.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.745 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 2.9 mp -63.72 -38.06 81.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.615 0.245 . . . . 0.0 110.894 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -72.57 -35.07 67.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.9 0.381 . . . . 0.0 110.703 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 14.7 m -71.31 -40.65 70.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.173 0.511 . . . . 0.0 110.658 177.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 15.0 m -83.08 -2.83 56.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.316 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.588 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 43.2 ttm -55.38 126.25 24.27 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.08 0.466 . . . . 0.0 110.744 -178.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 122.57 -30.23 5.2 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -175.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -101.96 117.15 34.22 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 175.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.565 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -66.86 -40.51 87.91 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.872 -173.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -70.64 -41.33 65.04 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.936 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.58 -41.71 75.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.565 0.221 . . . . 0.0 111.253 -176.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 83.4 mtp -60.54 -45.35 94.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.501 -178.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.654 HG22 ' HA ' ' A' ' 875' ' ' LYS . 70.8 t -66.91 -36.61 77.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.165 0.507 . . . . 0.0 110.279 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 828' ' ' ILE . 67.6 ttt180 -61.44 -48.51 80.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.64 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -61.49 -40.16 93.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.05 -39.53 82.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.227 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 827' ' ' ARG . 53.8 mtp180 -68.33 -32.46 72.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.656 0.265 . . . . 0.0 110.857 178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 824' ' ' ARG . 69.0 mt -63.6 -41.44 92.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.574 HD22 HG23 ' A' ' 805' ' ' ILE . 83.2 mt -60.58 -45.56 93.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.583 174.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.72 75.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.297 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -63.23 -43.8 97.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.841 0.353 . . . . 0.0 110.735 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.215 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 837' ' ' VAL . 52.7 m -60.89 -33.94 73.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.728 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.3 m -57.7 -39.91 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -66.04 -41.67 90.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.11 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.548 ' O ' HG13 ' A' ' 840' ' ' ILE . 27.1 mt -66.64 -47.47 72.48 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.725 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 833' ' ' THR . 99.5 t -53.82 -41.3 47.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.797 0.332 . . . . 0.0 110.411 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -65.74 -49.84 66.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.94 -54.16 48.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.655 -176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.73 HG12 ' CE2' ' A' ' 798' ' ' TYR . 53.0 mt -56.69 -46.06 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.003 0.43 . . . . 0.0 111.414 -175.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -72.91 -32.87 65.63 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.536 -176.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.88 -34.48 51.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.923 0.392 . . . . 0.0 110.958 178.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.441 ' HB3' ' OH ' ' A' ' 798' ' ' TYR . 23.5 t70 -75.63 -27.0 58.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.043 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.41 -23.93 67.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.521 174.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -77.41 -23.27 50.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 176.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -83.49 -17.94 65.25 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.587 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' A' ' 849' ' ' ASP . 8.8 tp10 -76.55 133.8 39.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.985 0.421 . . . . 0.0 110.198 178.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 31.8 t -86.76 -15.06 40.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.217 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 847' ' ' GLU . 17.7 t70 -89.25 112.47 23.52 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.63 -31.75 67.21 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.582 -172.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -64.9 -44.0 91.02 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.408 ' OD1' ' HE3' ' A' ' 855' ' ' LYS . 53.8 t30 -66.58 -39.05 88.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.272 175.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 46.6 m -56.61 -47.76 78.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.978 0.418 . . . . 0.0 110.086 178.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 -63.55 -37.07 85.93 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.965 177.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' A' ' 855' ' ' LYS . 1.7 tmmt? -69.2 -37.87 78.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.651 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 86.5 mt -65.61 -44.02 87.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.897 0.38 . . . . 0.0 110.36 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 853' ' ' SER . 85.4 mt -57.92 -41.08 81.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.831 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 6.3 p -72.3 -29.25 63.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.169 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.38 -47.38 79.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.939 0.4 . . . . 0.0 110.231 176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.19 86.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.315 176.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -59.25 -44.13 92.39 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.913 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.93 -51.35 45.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.424 ' HG ' HG23 ' A' ' 833' ' ' THR . 14.0 tp -54.75 -52.09 63.62 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.926 -0.579 . . . . 0.0 112.012 -177.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.55 -36.14 66.47 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.3 -175.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -86.18 -30.47 22.41 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.384 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.28 -33.86 75.45 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 174.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 23.8 m -70.94 -41.33 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.084 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.87 -52.53 64.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.712 176.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -58.62 -43.49 89.69 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.848 0.356 . . . . 0.0 110.671 177.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.45 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 10.8 tpt -59.63 -56.08 26.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.332 178.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.485 HG12 ' HE3' ' A' ' 875' ' ' LYS . 55.9 t -60.58 -46.15 96.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.764 -177.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 45.7 mm-40 -64.94 -41.36 95.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.549 0.214 . . . . 0.0 111.101 -178.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . 0.423 ' HB1' ' HG3' ' A' ' 889' ' ' ARG . . . -65.87 -41.8 91.17 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.502 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.05 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.834 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.654 ' HA ' HG22 ' A' ' 823' ' ' VAL . 94.8 mttt -54.25 -49.76 68.78 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.05 177.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.15 -44.67 59.52 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.596 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -68.63 -28.74 67.18 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.062 0.458 . . . . 0.0 111.477 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.565 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -78.9 -66.06 0.91 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.826 178.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.51 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -58.89 -37.52 76.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -175.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -107.12 85.54 2.07 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 169.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 23.6 Cg_exo -62.92 -36.99 57.22 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.608 2.205 . . . . 0.0 112.352 -171.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -76.56 -30.7 57.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.78 -171.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 19.2 p -61.58 110.19 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.316 0.579 . . . . 0.0 111.644 -174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -71.58 -28.33 63.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.726 -174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.35 -38.08 89.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.093 0.473 . . . . 0.0 110.124 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -70.25 -44.36 68.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.255 177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.506 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 82.4 mm-40 -57.88 -46.34 85.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.318 176.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -58.56 -50.73 72.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.533 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.423 ' HG3' ' HB1' ' A' ' 873' ' ' ALA . 16.8 ptm180 -69.53 -28.98 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.027 -177.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . . . . . . . . . 57.4 tp -63.97 -46.5 84.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.519 0.2 . . . . 0.0 110.678 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 83.5 mtt180 -57.9 -46.66 84.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.25 -38.87 85.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.65 -45.83 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -177.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.14 98.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.761 0.315 . . . . 0.0 110.916 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -66.53 -39.11 88.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.509 176.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.58 -38.07 85.85 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.904 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.09 -46.62 76.98 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 176.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.647 ' HB2' HG21 ' A' ' 809' ' ' THR . 29.1 ttp180 -59.56 -46.39 89.05 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 176.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 46.4 tpp -61.12 -43.72 98.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.019 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -62.39 -49.12 76.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.912 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.652 HG21 ' HB ' ' A' ' 805' ' ' ILE . 39.5 m -64.73 -50.56 66.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.015 -179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -51.47 -51.27 56.46 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.712 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' ' 907' ' ' ASN . . . -66.1 -41.76 90.16 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.292 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.37 -28.13 69.56 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.912 0.387 . . . . 0.0 111.201 179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.792 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -65.98 -51.03 62.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.079 178.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.87 -22.04 59.88 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.165 0.507 . . . . 0.0 110.561 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' ' 903' ' ' ALA . 5.6 t-20 -61.35 -21.94 64.47 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.807 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.402 ' HB2' ' CG ' ' A' ' 798' ' ' TYR . . . -69.34 85.02 0.39 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.07 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 47.7 mm -118.72 105.0 16.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.085 176.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.443 ' HB3' ' NZ ' ' A' ' 910' ' ' LYS . 4.6 ttpm? -166.47 90.82 0.42 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.956 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . 0.407 ' HE2' ' HB3' ' A' ' 911' ' ' LYS . 50.3 mtpt . . . . . 0 C--O 1.252 1.202 0 O-C-N 123.688 0.617 . . . . 0.0 111.12 -178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . 0.686 HD11 ' HE1' ' A' ' 785' ' ' PHE . 8.6 tp -142.12 128.86 19.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.053 0.454 . . . . 0.0 110.708 179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . 0.469 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 2.9 m-20 -79.78 135.67 55.68 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.491 175.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 25.2 Cg_exo -62.52 113.59 2.01 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.5 2.133 . . . . 0.0 112.035 -179.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . 0.686 ' HE1' HD11 ' A' ' 782' ' ' ILE . 82.2 m-85 -69.64 -39.31 77.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.486 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 3.1 p -81.05 -41.42 22.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.531 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . 59.77 -89.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.638 -1.165 . . . . 0.0 111.895 178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -167.87 150.9 5.84 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -71.6 117.92 13.77 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.895 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 14.1 p -90.75 -81.5 0.31 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.78 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -120.33 16.75 9.83 Favored Glycine 0 N--CA 1.448 -0.505 0 N-CA-C 111.576 -0.609 . . . . 0.0 111.576 177.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -164.67 -171.05 2.17 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.441 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -69.9 149.93 48.46 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.666 177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.462 ' HD2' ' HB3' ' A' ' 910' ' ' LYS . 11.0 Cg_exo -72.14 53.58 2.07 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 123.231 2.621 . . . . 0.0 112.645 -179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -88.75 90.84 8.58 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.404 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -131.15 -51.27 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.489 177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.453 ' HB2' ' CB ' ' A' ' 785' ' ' PHE . 34.0 ttt180 -55.96 -61.86 2.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.98 0.419 . . . . 0.0 111.239 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -74.42 -22.59 59.08 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -68.41 -42.47 78.95 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.042 -0.263 . . . . 0.0 110.424 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -63.16 -45.81 90.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.106 0.479 . . . . 0.0 110.376 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . 0.442 ' HB1' ' HG ' ' A' ' 836' ' ' LEU . . . -64.72 -44.01 91.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.473 -178.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.664 HG21 ' HB2' ' A' ' 905' ' ' ALA . 22.9 p -72.56 -38.21 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.574 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.98 -41.7 83.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.647 0.261 . . . . 0.0 110.686 -179.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.527 ' O ' HG23 ' A' ' 808' ' ' VAL . 34.2 m -58.09 -52.32 66.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.295 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.683 HG23 HD22 ' A' ' 829' ' ' LEU . 80.5 mt -59.43 -49.71 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.822 178.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 2.5 mp -51.36 -39.88 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.487 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.4 m -75.22 -43.98 48.76 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.35 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 804' ' ' THR . 79.6 t -65.18 -37.06 79.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.802 -0.181 . . . . 0.0 111.039 -178.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.54 HG21 ' HB2' ' A' ' 898' ' ' ARG . 92.2 m -55.78 -52.19 64.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.802 0.334 . . . . 0.0 111.34 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -58.76 -26.12 63.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.28 0.562 . . . . 0.0 110.578 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 3.8 m-80 -68.78 -26.91 65.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.873 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.483 ' CG2' HD21 ' A' ' 890' ' ' LEU . 2.8 mp -63.72 -41.71 93.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 174.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . 0.431 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 92.3 m-85 -70.42 -27.44 64.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.071 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 32.2 t -78.09 -34.76 50.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.932 178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 12.1 p -83.81 -3.77 58.13 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.563 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 83.6 mtp -50.15 116.55 1.9 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.018 0.437 . . . . 0.0 111.394 -178.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 132.76 -39.7 1.71 Allowed Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -104.06 123.01 46.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.745 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.37 -54.8 27.26 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.996 -174.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -61.58 -32.25 80.65 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.048 -177.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.64 -47.92 61.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 122.665 -0.315 . . . . 0.0 111.066 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.601 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . 85.9 mtp -62.11 -40.71 96.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.991 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 87.3 t -66.02 -35.81 75.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.763 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.412 ' O ' HG13 ' A' ' 828' ' ' ILE . 25.1 ttm-85 -56.86 -50.87 71.15 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.078 0.466 . . . . 0.0 110.596 177.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.449 HE21 HG13 ' A' ' 808' ' ' VAL . 15.6 mm100 -62.42 -39.29 92.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.021 -176.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.26 86.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.027 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -65.27 -41.58 94.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 824' ' ' ARG . 65.9 mt -60.01 -42.31 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.277 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.683 HD22 HG23 ' A' ' 805' ' ' ILE . 90.2 mt -63.84 -44.38 93.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.999 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -79.64 -48.5 13.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.84 -47.8 81.83 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.43 HG21 ' OG1' ' A' ' 867' ' ' THR . 52.9 m -60.27 -37.1 79.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 29.6 t -58.55 -50.74 72.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.588 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.4 -36.53 82.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.779 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -66.92 -49.35 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.863 177.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.556 HG13 ' HB1' ' A' ' 860' ' ' ALA . 54.7 t -57.93 -41.39 79.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.208 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -57.74 -44.97 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.397 . . . . 0.0 110.401 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.57 81.01 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.924 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 836' ' ' LEU . 68.4 mt -58.39 -45.5 89.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -178.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.84 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.803 0.335 . . . . 0.0 111.2 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -73.33 -30.3 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.836 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -35.92 64.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.165 173.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.445 ' HA ' HD12 ' A' ' 856' ' ' LEU . . . -61.09 -43.94 98.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.59 -20.57 59.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.975 0.416 . . . . 0.0 110.567 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -100.66 4.0 56.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.439 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -87.63 132.64 34.01 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 44.8 m -85.89 -17.92 34.19 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.259 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.76 122.38 28.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.824 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 850' ' ' LEU . 0.3 OUTLIER -70.34 -46.38 64.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.404 -171.741 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.45 -36.03 82.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.252 -177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.534 ' HA ' ' HD3' ' A' ' 855' ' ' LYS . 65.7 t30 -73.02 -31.24 64.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.415 179.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 16.0 t -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 854' ' ' ARG . 44.8 mtt180 -65.49 -45.37 83.89 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.913 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.534 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 10.1 mtpm? -55.53 -48.0 75.41 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.672 -179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 844' ' ' ALA . 93.8 mt -62.71 -48.51 78.95 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.039 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.28 -45.14 95.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.65 0.262 . . . . 0.0 111.359 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 26.2 p -67.14 -39.61 86.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.873 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -62.04 -44.48 96.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.52 0.2 . . . . 0.0 110.701 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.81 -40.18 96.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.569 177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -66.75 -39.93 88.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.845 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 88.7 mt -67.45 -47.72 79.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.093 176.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.08 -57.58 12.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.883 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.523 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.73 -34.03 67.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.976 0.417 . . . . 0.0 110.845 -175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.01 -42.39 26.67 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.723 -178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -59.36 -30.04 68.11 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.482 ' O ' HG23 ' A' ' 871' ' ' VAL . 22.8 m -67.74 -52.84 32.81 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.22 175.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.478 ' O ' ' HG2' ' A' ' 872' ' ' GLU . . . -56.36 -40.71 74.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.795 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -57.48 -48.05 80.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.288 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 15.9 ptm -77.25 -30.24 54.35 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.343 -175.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 867' ' ' THR . 70.3 t -65.1 -48.23 84.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.652 0.263 . . . . 0.0 110.396 177.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 868' ' ' ALA . 10.8 mm-40 -63.57 -38.57 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.496 178.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.21 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.783 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.99 99.13 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.684 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -53.81 -50.57 65.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.015 0.436 . . . . 0.0 110.594 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.09 86.24 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.874 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -70.8 -29.64 65.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.259 0.552 . . . . 0.0 111.388 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.745 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -84.09 -62.91 1.45 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.133 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.574 ' O ' ' HD3' ' A' ' 881' ' ' PRO . . . -60.57 -31.79 70.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.191 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -106.62 82.5 1.03 Allowed Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 171.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.574 ' HD3' ' O ' ' A' ' 879' ' ' ALA . 14.7 Cg_exo -67.24 -29.52 38.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.718 2.278 . . . . 0.0 112.064 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -75.6 -30.91 59.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.97 -175.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.8 t -66.11 107.15 1.82 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 -176.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -77.31 -27.0 52.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.141 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 39.6 tt0 -63.71 -41.15 98.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.813 0.34 . . . . 0.0 110.145 177.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -61.34 -34.28 75.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.662 177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 64.5 mm-40 -64.02 -45.56 88.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.992 179.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -64.81 -42.79 94.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.871 178.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 58.8 mtp180 -56.64 -42.88 79.64 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.128 0.49 . . . . 0.0 109.976 176.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.483 HD21 ' CG2' ' A' ' 812' ' ' ILE . 57.0 tp -63.45 -47.71 80.71 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.885 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 65.7 mtp180 -51.12 -53.68 32.06 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.296 0.372 . . . . 0.0 110.934 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -56.03 -51.14 68.86 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.343 -179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . . . . . . . . . . . -69.02 -43.42 74.78 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.769 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.69 76.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.213 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.3 -36.43 84.08 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -63.91 -44.03 96.64 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.552 175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -62.96 -38.94 93.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.561 177.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.54 ' HB2' HG21 ' A' ' 809' ' ' THR . 56.0 ttt180 -62.35 -46.53 88.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.248 0.547 . . . . 0.0 109.583 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.08 -41.76 77.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.068 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.88 79.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.223 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.439 HG21 ' HB ' ' A' ' 805' ' ' ILE . 40.1 m -62.63 -46.89 86.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 31.9 t-20 -62.08 -32.23 72.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.285 0.564 . . . . 0.0 110.065 -179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -74.46 -41.2 61.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 177.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -61.83 -27.6 68.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 110.186 176.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.664 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -58.82 -36.78 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.186 175.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -78.41 -22.86 47.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.198 -178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -72.25 -6.99 46.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.704 -178.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 910' ' ' LYS . . . -53.74 129.47 33.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.888 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 73.2 mt -59.13 114.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.284 177.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.542 ' HG3' ' O ' ' A' ' 908' ' ' ALA . 31.2 mtmm -117.35 135.53 53.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.677 -177.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 57.3 mttp . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.491 -0.766 . . . . 0.0 109.964 174.537 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 111.606 -0.598 . . . . 0.0 111.606 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . 0.533 HD13 ' H ' ' A' ' 782' ' ' ILE . 0.2 OUTLIER -136.41 177.41 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 178.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -98.68 112.19 62.04 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . 0.653 ' HB2' ' HB2' ' A' ' 787' ' ' ALA . 32.8 Cg_exo -57.71 112.77 1.24 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.69 2.26 . . . . 0.0 111.811 -179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -75.05 -41.2 59.56 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.829 -172.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 2.7 m -97.72 17.05 18.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.316 0.579 . . . . 0.0 110.837 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.653 ' HB2' ' HB2' ' A' ' 784' ' ' PRO . . . -69.5 -37.89 77.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.564 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -93.14 -174.93 3.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.177 177.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 65.88 98.95 0.04 OUTLIER 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.763 0.664 . . . . 0.0 111.111 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 4.4 t -56.09 135.04 53.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.889 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 126.23 -172.74 17.97 Favored Glycine 0 N--CA 1.445 -0.733 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.667 -176.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -138.88 -39.18 0.5 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.937 0.398 . . . . 0.0 110.736 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -162.04 139.04 5.72 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.709 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -62.11 140.9 86.43 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.499 2.133 . . . . 0.0 112.301 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.728 ' HB3' ' HA ' ' A' ' 799' ' ' ASP . . . -82.57 25.43 0.64 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.267 0.556 . . . . 0.0 111.268 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . 0.703 ' HA3' ' HA ' ' A' ' 910' ' ' LYS . . . 66.46 -88.95 0.13 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.307 -0.86 . . . . 0.0 113.638 176.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 798' ' ' TYR . 34.1 ttm180 -89.39 -54.3 4.15 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.693 0.282 . . . . 0.0 111.485 -172.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.446 ' HD2' ' HB2' ' A' ' 908' ' ' ALA . 23.0 m-85 -100.07 39.03 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.672 0.272 . . . . 0.0 110.404 -175.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . 0.728 ' HA ' ' HB3' ' A' ' 795' ' ' ALA . 5.6 p-10 -68.07 -41.65 81.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.604 -172.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -73.56 -49.14 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.702 0.287 . . . . 0.0 111.094 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -57.7 -45.9 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.794 -175.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 33.7 p -68.64 -42.63 77.71 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -49.78 -48.16 50.64 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.024 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 808' ' ' VAL . 30.2 m -57.56 -51.17 70.56 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.067 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.569 ' HB ' HG21 ' A' ' 901' ' ' THR . 78.7 mt -62.6 -46.81 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.623 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 806' ' ' LEU . 1.3 mm? -52.17 -44.22 64.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.702 0.286 . . . . 0.0 111.225 179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . 0.554 ' O ' ' HG2' ' A' ' 810' ' ' GLU . 26.9 m -76.29 -43.93 39.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.018 -177.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.577 ' HA ' ' ND2' ' A' ' 811' ' ' ASN . 84.9 t -63.05 -28.81 45.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 O-C-N 122.118 -0.364 . . . . 0.0 110.781 -178.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.448 HG21 ' HB2' ' A' ' 898' ' ' ARG . 53.9 m -54.53 -52.79 60.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.096 178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.84 ' HB3' HH22 ' A' ' 898' ' ' ARG . 10.0 pt-20 -67.44 -24.51 65.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.788 -176.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.577 ' ND2' ' HA ' ' A' ' 808' ' ' VAL . 95.4 m-20 -59.92 -27.81 67.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.861 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.433 HG21 HD11 ' A' ' 890' ' ' LEU . 2.9 mp -61.41 -36.11 70.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.82 0.343 . . . . 0.0 110.37 177.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -75.69 -28.56 58.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.573 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 13.5 m -76.68 -40.26 49.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.216 0.531 . . . . 0.0 110.151 178.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.581 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 18.9 m -82.14 -3.71 55.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.948 178.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.594 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 45.7 ttm -56.2 123.2 13.71 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.063 -178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 133.79 -36.61 2.09 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -177.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . 0.471 ' OD2' ' HG2' ' A' ' 821' ' ' GLU . 16.6 t70 -108.63 131.79 54.53 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.799 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -65.21 -55.97 15.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.583 -175.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.41 -40.77 78.28 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.35 -0.453 . . . . 0.0 113.235 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.581 ' HB3' ' HB3' ' A' ' 815' ' ' SER . 39.5 mm-40 -62.6 -50.59 70.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.655 0.264 . . . . 0.0 111.207 179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.594 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.6 mtp -63.33 -41.7 98.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.412 -176.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.618 HG22 ' HA ' ' A' ' 875' ' ' LYS . 99.2 t -64.54 -39.33 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.926 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 828' ' ' ILE . 36.8 ttp-105 -64.3 -41.94 96.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.778 -178.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 82.8 mm-40 -61.74 -41.82 98.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.652 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.519 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -62.69 -40.21 96.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.814 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -64.93 -38.98 92.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.695 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 824' ' ' ARG . 84.7 mt -61.59 -44.04 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.955 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.417 HD22 HG23 ' A' ' 805' ' ' ILE . 49.0 mt -58.07 -46.36 85.56 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.068 176.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.401 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -58.83 -45.43 90.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.952 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -63.68 -46.72 84.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.828 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.49 -41.35 93.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.271 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.519 HG21 ' OG1' ' A' ' 867' ' ' THR . 99.3 m -63.49 -34.98 78.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.771 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 75.2 m -61.39 -33.27 73.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.819 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -62.52 -50.05 72.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.811 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.549 HD12 HD12 ' A' ' 805' ' ' ILE . 20.4 mt -64.34 -47.3 79.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.759 179.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 833' ' ' THR . 80.1 t -51.99 -47.65 41.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.728 0.299 . . . . 0.0 110.718 -179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -72.47 -44.31 62.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.159 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.73 78.55 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 77.2 mt -61.23 -43.53 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-O 120.718 0.294 . . . . 0.0 110.862 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -67.3 -37.83 84.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.868 178.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.64 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.74 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -71.93 -33.09 67.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.321 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.76 -25.98 68.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -73.15 -26.77 61.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.648 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -94.01 -17.88 39.11 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.972 -0.632 . . . . 0.0 111.803 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -68.12 118.95 11.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.909 0.385 . . . . 0.0 110.359 178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 13.3 p -84.28 -15.73 45.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.712 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -78.52 115.87 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 850' ' ' LEU . 21.3 tp -65.83 -43.04 89.71 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.439 -173.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.7 -45.02 91.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.392 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.464 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 66.4 t30 -68.61 -33.5 74.15 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 24.9 t -63.58 -47.91 79.54 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 176.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -60.31 -41.32 93.24 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.681 174.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -66.99 -42.29 85.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.332 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 90.0 mt -64.8 -43.06 94.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 0.0 110.438 177.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.24 -42.74 99.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.117 175.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 22.7 t -60.59 -50.07 74.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.412 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -56.08 -47.7 77.48 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.33 92.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.945 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -62.98 -53.07 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.587 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 96.7 mt -58.74 -44.43 90.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.751 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.448 ' HA ' ' HB1' ' A' ' 900' ' ' ALA . 12.7 tp -60.19 -55.75 30.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.333 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -55.42 -28.68 55.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.412 -176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.53 -39.83 21.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.17 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . 0.551 ' HB1' ' HA ' ' A' ' 897' ' ' LEU . . . -57.72 -36.97 72.74 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 175.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.519 ' OG1' HG21 ' A' ' 833' ' ' THR . 8.0 m -68.68 -46.16 69.79 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.331 177.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.41 77.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.794 -0.185 . . . . 0.0 111.027 179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -65.31 -39.13 92.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.481 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.648 ' HA ' ' HB1' ' A' ' 893' ' ' ALA . 11.3 tpt -62.44 -53.54 53.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.105 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.519 ' HA ' ' HB1' ' A' ' 826' ' ' ALA . 55.2 t -60.05 -49.39 84.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.56 -176.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -63.99 -38.43 91.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.643 0.259 . . . . 0.0 111.173 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.31 84.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.493 178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.21 -47.3 86.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.745 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.618 ' HA ' HG22 ' A' ' 823' ' ' VAL . 57.7 mtpt -57.27 -44.35 83.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -70.5 -43.38 61.52 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.695 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.46 64.72 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.076 0.465 . . . . 0.0 111.106 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.799 ' HB1' ' HA ' ' A' ' 819' ' ' ALA . . . -81.27 -61.46 1.94 Allowed 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.151 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.12 -37.8 78.07 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.994 -175.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 51.4 m170 -106.64 81.13 0.82 Allowed Pre-proline 0 C--N 1.326 -0.421 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 169.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -61.5 -36.41 77.09 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.637 2.225 . . . . 0.0 112.724 -168.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -77.05 -13.76 59.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.356 -173.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 70.3 m -72.05 103.5 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -174.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -59.35 -42.14 90.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.783 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 889' ' ' ARG . 1.8 mp0 -53.03 -50.07 64.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.664 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.54 -36.73 83.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.847 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.555 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 84.0 mm-40 -58.96 -50.57 73.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 177.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.429 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 58.4 tp60 -59.06 -44.74 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.914 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 885' ' ' GLU . 86.5 mtt180 -57.74 -40.69 80.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.678 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.433 HD11 HG21 ' A' ' 812' ' ' ILE . 54.9 tp -65.18 -43.7 90.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.127 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 98.3 mtt180 -55.85 -51.1 68.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.842 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.29 -28.85 63.36 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.29 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.648 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -72.23 -45.12 61.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.267 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . . . . . . . . . . . -61.99 -44.58 96.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.242 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -67.61 -34.8 77.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.596 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -68.07 -37.47 87.39 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.64 175.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . 0.551 ' HA ' ' HB1' ' A' ' 866' ' ' ALA . 2.7 tm? -66.78 -45.98 76.74 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.84 HH22 ' HB3' ' A' ' 810' ' ' GLU . 28.7 ttm180 -60.57 -44.31 96.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.578 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 58.3 ttp -60.09 -45.55 92.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.909 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 863' ' ' LEU . . . -64.74 -45.8 84.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.911 0.386 . . . . 0.0 110.985 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.569 HG21 ' HB ' ' A' ' 805' ' ' ILE . 51.2 m -63.75 -45.93 87.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.886 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.51 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 27.8 t-20 -61.75 -39.42 91.54 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -61.61 -41.96 98.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.724 177.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' A' ' 907' ' ' ASN . . . -63.05 -29.09 70.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.086 0.469 . . . . 0.0 110.439 175.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 902' ' ' ASN . . . -67.94 -32.95 73.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.817 177.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -78.1 -37.73 45.72 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.244 173.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 904' ' ' ALA . 13.7 m-80 -59.43 -27.02 65.67 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.05 177.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . 0.446 ' HB2' ' HD2' ' A' ' 798' ' ' TYR . . . -65.97 110.5 2.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.199 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 76.3 mt -69.65 132.65 32.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.195 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . 0.703 ' HA ' ' HA3' ' A' ' 796' ' ' GLY . 14.0 ptmm? -64.05 126.41 27.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.361 176.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 52.0 pttt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.085 178.031 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 782' ' ' ILE . 10.7 tp -88.67 31.03 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 122.06 0.934 . . . . 0.0 109.857 179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' ASP . . . . . 0.479 ' HA ' ' HD3' ' A' ' 784' ' ' PRO . 6.8 m-20 -68.93 128.8 92.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.826 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 783' ' ' ASP . 11.2 Cg_endo -90.16 101.92 0.3 Allowed 'Trans proline' 0 N--CA 1.449 -1.12 0 C-N-CA 123.249 2.633 . . . . 0.0 111.97 177.244 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -91.02 153.78 19.89 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.217 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' THR . . . . . . . . . . . . . 6.0 t 48.03 30.93 2.22 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.168 0.987 . . . . 0.0 111.439 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 792' ' ' ALA . . . -68.32 117.53 10.24 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.774 -176.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.435 ' O ' ' HB2' ' A' ' 792' ' ' ALA . 34.8 p-80 -70.94 129.57 39.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.697 174.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -66.87 148.39 52.0 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.627 -173.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 24.1 m 68.83 88.99 0.11 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.15 -177.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 99.99 33.53 5.2 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -173.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 787' ' ' ALA . . . -100.53 -174.69 2.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.978 0.418 . . . . 0.0 111.004 -176.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 100.04 -167.45 20.62 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.696 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.471 ' HA ' ' OE1' ' A' ' 800' ' ' GLN . 16.9 Cg_exo -66.86 124.54 12.43 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.555 2.17 . . . . 0.0 111.153 177.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -57.49 113.0 1.6 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . 0.479 ' HA3' ' OD1' ' A' ' 799' ' ' ASP . . . 66.84 -108.43 2.42 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 -172.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -154.79 -53.96 0.09 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.688 0.28 . . . . 0.0 110.263 171.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -105.79 -0.77 25.05 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 178.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . 0.479 ' OD1' ' HA3' ' A' ' 796' ' ' GLY . 4.9 m-20 -68.43 -30.19 69.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.049 -169.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . 0.471 ' OE1' ' HA ' ' A' ' 794' ' ' PRO . 52.6 mt-30 -70.68 -40.17 73.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.846 0.355 . . . . 0.0 110.619 177.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.96 78.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.669 178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.588 HG21 ' HB2' ' A' ' 905' ' ' ALA . 22.1 p -68.94 -35.67 77.07 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 178.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -54.41 -45.7 73.01 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.964 176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 808' ' ' VAL . 23.0 m -59.37 -54.21 49.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.687 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.587 HG23 HD22 ' A' ' 829' ' ' LEU . 80.4 mt -60.5 -48.9 86.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.151 -178.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 3.3 mp -54.24 -48.21 71.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 25.3 m -68.7 -45.28 72.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.484 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.734 HG13 HE21 ' A' ' 825' ' ' GLN . 80.2 t -61.91 -35.07 65.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 0.0 110.561 179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.76 HG21 ' HB2' ' A' ' 898' ' ' ARG . 85.8 m -67.26 -49.2 65.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.83 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -64.09 -25.52 68.13 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.794 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -70.46 -21.69 62.76 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.716 176.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 816' ' ' MET . 19.2 mm -60.59 -49.63 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.27 0.557 . . . . 0.0 109.663 176.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . 0.407 ' HA ' ' HG3' ' A' ' 816' ' ' MET . 40.8 m-85 -64.2 -28.31 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.69 -178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.0 m -78.08 -31.97 50.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.729 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 25.1 m -82.84 -11.52 58.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.489 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.643 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 87.4 mtp -51.42 120.82 5.47 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.293 0.568 . . . . 0.0 111.263 -179.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.84 -28.18 5.49 Favored Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 -173.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -110.59 111.0 21.93 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 174.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.449 ' HA ' ' HB1' ' A' ' 878' ' ' ALA . . . -64.72 -54.24 34.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.844 -172.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.32 -33.27 74.97 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.251 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.1 mm-40 -67.0 -51.8 50.56 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.59 -0.359 . . . . 0.0 110.645 179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.643 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 80.7 mtp -58.25 -43.93 88.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.334 -178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 827' ' ' ARG . 88.0 t -63.55 -42.79 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.969 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.401 ' O ' HG13 ' A' ' 828' ' ' ILE . 11.8 ttm180 -59.07 -50.08 75.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.734 HE21 HG13 ' A' ' 808' ' ' VAL . 15.6 mm100 -62.23 -34.56 76.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.129 -177.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.51 -39.41 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 823' ' ' VAL . 22.2 mtm180 -68.7 -31.75 71.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.289 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 825' ' ' GLN . 69.3 mt -63.31 -41.42 92.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.742 175.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.587 HD22 HG23 ' A' ' 805' ' ' ILE . 48.1 mt -61.9 -45.69 92.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.631 176.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.63 85.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.746 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.46 -53.78 51.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.778 178.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.13 97.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.727 -177.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.554 HG21 ' OG1' ' A' ' 867' ' ' THR . 98.2 m -61.21 -40.22 93.16 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.637 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 63.6 m -63.25 -40.56 97.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.607 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.23 -37.81 84.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.184 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.51 ' O ' HG13 ' A' ' 840' ' ' ILE . 0.4 OUTLIER -69.2 -48.65 61.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.025 -178.568 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.68 HG13 ' HB1' ' A' ' 860' ' ' ALA . 92.2 t -57.47 -41.42 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.582 -177.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -59.64 -41.71 91.11 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.994 0.426 . . . . 0.0 110.69 177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.56 85.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.845 179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 836' ' ' LEU . 73.3 mt -59.77 -49.77 82.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.826 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 845' ' ' GLU . 98.3 mttt -61.55 -51.51 68.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.825 -177.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.94 75.99 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.911 0.386 . . . . 0.0 111.396 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -78.14 -34.3 49.93 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.129 0.49 . . . . 0.0 110.175 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.99 -40.93 99.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.637 175.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 841' ' ' LYS . 47.1 mt-10 -67.33 -34.77 78.05 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.249 178.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -73.89 -22.02 78.55 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.437 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -66.87 129.29 39.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.592 177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 18.5 m -76.63 -26.24 54.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.498 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.3 109.8 8.07 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -42.88 81.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.741 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -65.42 -47.25 76.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.333 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -64.24 -36.01 82.68 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 177.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 23.5 t -60.49 -49.72 76.44 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.489 177.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -60.45 -47.83 84.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.168 177.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -60.08 -40.77 90.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.472 -177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.95 -44.73 88.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.716 0.293 . . . . 0.0 110.553 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.53 -38.49 91.32 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 51.0 m -66.25 -46.09 78.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.35 176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -60.81 -42.58 97.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.932 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.68 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.72 -39.83 92.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.747 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -66.13 -48.89 69.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.481 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 82.0 mt -59.1 -44.2 90.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.445 178.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.415 ' HG ' HG23 ' A' ' 833' ' ' THR . 9.7 tp -62.88 -57.77 9.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.311 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -56.99 -25.86 59.12 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.057 0.456 . . . . 0.0 111.254 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -84.49 -40.89 17.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.68 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -58.39 -33.26 69.42 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.554 ' OG1' HG21 ' A' ' 833' ' ' THR . 4.3 m -65.74 -49.36 68.71 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.188 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.62 80.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 110.763 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -61.84 -41.73 98.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.561 177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.539 ' HG2' ' HA ' ' A' ' 894' ' ' ALA . 0.8 OUTLIER -64.72 -56.23 14.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.768 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.36 -48.03 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.899 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.81 -28.84 67.11 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.225 -177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -74.35 -43.36 56.91 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 175.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.88 99.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.964 178.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -56.41 -38.32 71.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.111 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -80.48 -41.77 11.03 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.481 ' HA ' ' HB3' ' A' ' 886' ' ' GLN . . . -67.54 -34.5 77.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.151 0.5 . . . . 0.0 111.247 -177.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.451 ' HB2' ' HB2' ' A' ' 822' ' ' MET . . . -74.06 -62.43 1.51 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.016 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -59.6 -34.46 72.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.552 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -107.1 80.66 0.85 Allowed Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 169.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.82 -26.38 38.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.469 2.113 . . . . 0.0 112.283 -171.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -76.19 -30.82 58.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.605 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 887' ' ' GLN . 19.6 m -68.83 104.06 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.543 -174.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -68.17 -30.08 69.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.131 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.0 -42.97 81.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.281 0.562 . . . . 0.0 110.08 176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.481 ' HB3' ' HA ' ' A' ' 877' ' ' ALA . 13.7 mm100 -67.08 -43.45 82.58 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.505 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.534 ' O ' ' HG3' ' A' ' 891' ' ' ARG . 17.1 mm-40 -62.09 -44.17 97.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.51 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.421 ' HA ' ' HD2' ' A' ' 891' ' ' ARG . 25.8 tp60 -60.36 -41.52 93.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.8 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -60.98 -45.57 94.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.339 176.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 890' ' ' LEU . . . . . 0.425 HD11 ' HE2' ' A' ' 870' ' ' MET . 63.8 tp -64.46 -38.43 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.461 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 891' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 887' ' ' GLN . 99.6 mtt180 -48.13 -51.96 22.55 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.072 0.463 . . . . 0.0 110.693 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 892' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -80.51 -34.36 35.75 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.986 -176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 893' ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -69.28 -48.17 62.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.584 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 894' ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -70.56 -43.33 69.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.69 0.281 . . . . 0.0 110.779 -177.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 895' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.89 -38.59 89.15 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.928 0.394 . . . . 0.0 109.959 178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 896' ' ' GLY . . . . . . . . . . . . . . . -62.71 -38.04 95.8 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.942 -0.647 . . . . 0.0 111.742 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 897' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -62.46 -47.67 83.0 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 898' ' ' ARG . . . . . 0.76 ' HB2' HG21 ' A' ' 809' ' ' THR . 25.0 ttp180 -61.45 -43.92 98.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.148 178.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 899' ' ' MET . . . . . . . . . . . . . 56.8 ttp -59.73 -47.72 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.846 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 900' ' ' ALA . . . . . . . . . . . . . . . -61.82 -44.66 96.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.883 0.373 . . . . 0.0 111.037 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 901' ' ' THR . . . . . 0.577 HG21 ' HB ' ' A' ' 805' ' ' ILE . 42.3 m -64.35 -46.52 83.09 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.137 0.494 . . . . 0.0 110.688 178.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 902' ' ' ASN . . . . . 0.529 ' O ' ' HB3' ' A' ' 905' ' ' ALA . 34.4 t-20 -62.27 -41.27 98.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.754 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 903' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.55 99.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.663 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 904' ' ' ALA . . . . . . . . . . . . . . . -62.71 -29.5 70.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.289 176.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 905' ' ' ALA . . . . . 0.588 ' HB2' HG21 ' A' ' 802' ' ' THR . . . -63.91 -36.68 84.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.974 176.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 906' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -78.12 -25.36 47.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.732 0.301 . . . . 0.0 111.022 176.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 907' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -78.17 -15.87 58.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.759 178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 908' ' ' ALA . . . . . . . . . . . . . . . -59.42 125.83 25.22 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.756 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 909' ' ' ILE . . . . . . . . . . . . . 56.6 mt -56.37 126.22 13.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.88 177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 910' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -70.82 95.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.518 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 911' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--O 1.248 1.021 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.756 -176.876 . . . . . . . . 0 0 . 1 stop_ save_