data_1u89_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 1u89 _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 ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . 0.418 HG23 ' HE3' ' A' ' 822' ' ' MET . 2.2 t -67.32 -46.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -174.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -55.8 -46.4 83.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.398 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.1 80.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 111.369 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -64.26 -43.47 94.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.968 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 813' ' ' PHE . . . -63.35 -44.0 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.545 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 78.2 m -57.35 -39.88 76.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.159 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.88 77.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.784 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.494 HG23 ' HB2' ' A' ' 866' ' ' ALA . 45.9 t -70.23 -48.72 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.821 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.12 71.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.055 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -70.05 -51.82 28.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.734 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . 0.413 ' HB2' HG23 ' A' ' 862' ' ' ILE . . . -57.47 -41.89 81.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.193 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 806' ' ' LEU . 1.2 tp -58.86 -48.24 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -67.23 -39.22 86.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.562 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.44 -53.2 61.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.267 0.556 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.694 HD13 HD11 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -65.81 -41.31 92.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.067 -178.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . 0.411 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.8 mt . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.779 0.323 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.518 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.1 p -67.62 -39.98 84.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.8 -43.43 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.791 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 48.4 m -63.16 -41.0 99.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.445 ' HB ' HD12 ' A' ' 778' ' ' LEU . 64.4 mt -64.0 -58.56 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.635 ' HB2' HD21 ' A' ' 778' ' ' LEU . 1.3 tt -50.62 -45.31 57.5 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.471 0.482 . . . . 0.0 111.442 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.5 m -57.9 -37.97 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 825' ' ' GLN . 3.9 t -68.78 -49.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -42.91 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.45 -31.11 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.51 -38.07 89.72 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.1 0.476 . . . . 0.0 110.313 176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 812' ' ' ILE . 3.9 mt -65.21 -34.62 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.025 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.495 ' CE2' ' HB1' ' A' ' 771' ' ' ALA . 15.4 m-85 -62.23 -43.15 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.318 176.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -34.58 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.2 m -102.17 28.49 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.42 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.67 96.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 129.8 -9.44 6.07 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.517 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.78 -21.23 37.89 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.167 0.508 . . . . 0.0 110.796 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.0 -65.82 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.008 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.62 -51.92 55.7 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.844 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.15 -32.22 71.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.919 0.39 . . . . 0.0 110.692 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.418 ' HE3' HG23 ' A' ' 767' ' ' VAL . 45.9 mtp -64.49 -51.44 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.522 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 56.5 t -63.78 -38.42 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 3.9 tpt180 -57.36 -54.33 48.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.677 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.494 ' HB3' HG11 ' A' ' 808' ' ' VAL . 44.8 mm-40 -64.86 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.18 74.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -70.36 -32.55 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.592 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.9 mt -72.6 -39.71 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.68 ' HG ' HG23 ' A' ' 867' ' ' THR . 9.5 tp -53.41 -48.93 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.681 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -56.78 -43.48 80.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.28 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.734 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . 0.443 ' HB3' HG12 ' A' ' 805' ' ' ILE . . . -62.94 -49.53 74.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.875 -176.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -66.5 -40.18 89.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.2 m -62.0 -35.61 79.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -41.48 75.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.334 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.467 ' HG ' HD13 ' A' ' 840' ' ' ILE . 28.1 tp -60.75 -51.85 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.486 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.427 HG22 ' HB2' ' A' ' 864' ' ' ALA . 79.8 t -59.58 -42.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.976 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.65 -38.48 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.074 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.89 93.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 781' ' ' LEU . 9.2 mt -62.62 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.724 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.438 ' HA ' HD23 ' A' ' 857' ' ' LEU . 8.2 tttm . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.868 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.262 0.553 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 841' ' ' LYS . 1.8 mt -75.78 -22.65 56.2 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.312 -176.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 5.8 m -72.06 -46.22 57.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.514 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.658 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -61.34 -32.78 72.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 0.0 OUTLIER -62.05 -49.88 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.065 176.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 859' ' ' ALA . 3.8 mt -58.98 -39.69 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.23 -57.02 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . 0.427 ' HB2' HG22 ' A' ' 837' ' ' VAL . . . -71.4 -38.0 71.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.318 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.4 OUTLIER -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.156 -178.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.494 ' HB2' HG23 ' A' ' 774' ' ' VAL . . . -70.11 -32.33 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.777 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.68 HG23 ' HG ' ' A' ' 829' ' ' LEU . 79.7 m -65.13 -39.89 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.66 -39.84 95.35 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.384 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -33.64 74.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 177.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.412 ' HA ' ' HB2' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -67.66 -49.0 65.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 178.171 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -31.38 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.41 0.624 . . . . 0.0 109.877 176.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 27.4 tt0 -66.53 -49.24 67.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.388 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.39 -43.14 74.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.592 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.09 79.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.238 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -77.09 -41.77 40.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 121.144 -0.55 . . . . 0.0 113.05 -176.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.64 -40.63 62.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.601 0.239 . . . . 0.0 111.396 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.91 -47.33 90.79 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.587 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.93 86.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.65 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.645 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.16 89.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.774 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.9 m -61.35 -29.16 69.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.91 93.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.46 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.64 -43.26 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.333 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.55 -45.28 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.995 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -68.94 -44.85 72.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.077 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.43 97.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.244 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 806' ' ' LEU . 1.0 OUTLIER -63.4 -45.65 90.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.421 178.241 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -60.7 -41.61 95.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.391 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.59 -48.69 80.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.01 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.68 -45.21 83.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.613 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 110.657 179.566 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -42.88 95.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.127 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.08 -44.42 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.972 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 90.9 m -59.09 -45.35 91.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.526 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.455 ' CD1' HD22 ' A' ' 836' ' ' LEU . 34.6 mt -56.96 -58.0 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.709 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.725 ' HB2' HD21 ' A' ' 778' ' ' LEU . 8.4 tp -59.95 -33.33 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.698 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.8 m -64.59 -42.61 95.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' A' ' 829' ' ' LEU . 19.1 t -64.15 -43.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.805 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -40.3 95.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.264 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.73 -42.27 99.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.371 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.19 -42.26 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.403 ' O ' HG21 ' A' ' 812' ' ' ILE . 3.2 mt -62.17 -39.2 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 178.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.44 -45.37 91.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.065 0.459 . . . . 0.0 110.416 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -45.34 71.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.259 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.2 19.98 3.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.7 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.412 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.0 OUTLIER -60.91 105.84 0.51 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.246 0.546 . . . . 0.0 110.055 177.556 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.34 -38.45 1.8 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -175.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.72 86.05 7.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -54.67 -37.75 66.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.88 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.15 60.63 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.44 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.412 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 23.6 mtp -59.5 -49.98 75.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.9 -39.46 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.356 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -57.67 -52.6 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.477 ' HA ' HD13 ' A' ' 828' ' ' ILE . 45.3 mm-40 -62.54 -41.68 99.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.699 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.99 71.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.82 0.343 . . . . 0.0 111.405 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.46 -42.62 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.449 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 825' ' ' GLN . 5.3 mt -66.89 -36.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 176.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.551 ' HG ' HG23 ' A' ' 867' ' ' THR . 12.8 tp -57.72 -49.05 77.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.291 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -61.41 -34.25 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.072 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.62 -49.58 31.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.19 86.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.677 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -64.83 -35.22 80.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.53 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.6 m -62.57 -41.22 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 110.436 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -38.87 84.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.132 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.621 HD21 ' HG ' ' A' ' 863' ' ' LEU . 35.9 tp -62.45 -51.61 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.823 178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -41.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.25 -44.83 95.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.658 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.11 87.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 3.6 mt -69.19 -40.0 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.672 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.605 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 121.362 0.601 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 1.1 mt -75.84 -25.85 56.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.205 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.451 ' O ' HG13 ' A' ' 862' ' ' ILE . 68.4 m -70.21 -42.25 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.586 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -65.39 -43.29 91.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 176.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.35 72.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.757 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -33.64 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 859' ' ' ALA . 10.5 mt -71.51 -37.81 65.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.621 ' HG ' HD21 ' A' ' 836' ' ' LEU . 0.4 OUTLIER -53.76 -53.67 48.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 176.597 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.48 90.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.031 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.55 -56.66 18.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.957 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.9 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.551 HG23 ' HG ' ' A' ' 829' ' ' LEU . 85.6 m -64.74 -42.91 94.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.11 -38.24 90.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.534 177.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -40.6 95.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.791 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -48.46 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.072 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.1 mm-40 -75.93 -36.08 59.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.32 -49.4 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.19 93.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -69.72 -39.76 76.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.449 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 5.8 t -64.02 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.49 0.186 . . . . 0.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -59.06 -47.5 90.49 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.498 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.07 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 870' ' ' MET . . . -69.58 -47.91 61.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.74 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 95.5 m -59.4 -40.13 85.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.894 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.12 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.485 HG21 ' HB1' ' A' ' 866' ' ' ALA . 22.1 t -61.11 -47.16 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.4 m -56.89 -43.68 81.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.54 -27.14 45.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.66 77.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.86 -44.24 93.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.271 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -57.84 -45.25 86.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.353 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -58.78 -45.83 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.637 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 840' ' ' ILE . 1.2 tp -62.39 -49.52 75.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.586 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.641 0.258 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 12.8 p -64.0 -38.77 92.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.97 -48.2 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.65 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 804' ' ' THR . . . . . 0.552 HG23 ' HB1' ' A' ' 832' ' ' ALA . 23.6 m -59.15 -45.82 89.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.427 HD12 HD23 ' A' ' 836' ' ' LEU . 2.8 mt -60.58 -52.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.678 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.71 -52.78 63.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.068 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.7 m -58.02 -43.66 86.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.313 0.383 . . . . 0.0 110.784 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.526 HG12 ' HB2' ' A' ' 829' ' ' LEU . 2.2 t -65.43 -50.29 73.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.067 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.708 ' HA ' HD11 ' A' ' 812' ' ' ILE . 3.1 m -66.39 -39.19 88.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.774 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.13 -29.75 69.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.981 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -68.4 -33.55 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 809' ' ' THR . 4.0 mt -66.05 -32.36 57.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 0.0 110.574 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -66.13 -29.11 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -36.85 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.623 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 25.2 p -77.95 -5.89 52.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.451 -177.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.508 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.0 mtt -50.09 112.38 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.281 0.562 . . . . 0.0 110.667 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.9 -34.9 2.87 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -104.59 95.12 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.57 73.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.87 -175.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.88 -50.37 66.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.91 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -68.81 -35.97 77.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.508 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 24.3 mtp -61.19 -45.73 93.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.4 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.149 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.07 20.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.454 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -63.46 -41.17 98.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.498 ' HB1' HG22 ' A' ' 871' ' ' VAL . . . -57.49 -37.28 72.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 827' ' ' ARG . 8.8 mtp180 -64.72 -43.16 94.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.659 177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 5.9 mt -68.25 -33.9 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.476 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.526 ' HB2' HG12 ' A' ' 808' ' ' VAL . 8.4 tp -57.54 -48.79 78.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.107 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.9 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.557 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -43.23 89.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.014 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . 0.552 ' HB1' HG23 ' A' ' 804' ' ' THR . . . -67.01 -47.68 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.586 -177.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.9 m -64.93 -35.91 82.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 46.2 m -63.89 -27.91 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.292 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.06 -46.07 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.256 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 863' ' ' LEU . 19.5 tp -58.67 -51.8 68.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.289 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.81 -40.68 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.87 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -67.63 -37.82 83.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.828 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.94 67.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.545 HD12 HD23 ' A' ' 781' ' ' LEU . 18.6 mt -64.3 -39.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.761 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.427 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 21.2 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 121.349 0.595 . . . . 0.0 110.617 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 7.4 mt -75.41 -29.23 59.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.545 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.8 -35.62 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.408 . . . . 0.0 110.384 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.628 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -69.24 -41.21 77.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.273 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.56 -28.34 69.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.923 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -44.48 96.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.628 HD11 ' HA ' ' A' ' 859' ' ' ALA . 0.6 OUTLIER -66.37 -36.96 78.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.164 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 836' ' ' LEU . 0.7 OUTLIER -54.95 -51.86 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.223 177.387 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.8 82.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.299 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.57 -46.95 87.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.379 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.485 ' HB1' HG21 ' A' ' 774' ' ' VAL . . . -64.22 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.793 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.448 HG22 ' HG ' ' A' ' 829' ' ' LEU . 93.5 m -64.42 -39.98 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.865 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.25 -39.61 95.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.223 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.68 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.31 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.47 ' HG2' HG23 ' A' ' 774' ' ' VAL . 0.0 OUTLIER -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.773 178.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.498 HG22 ' HB1' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -62.23 -36.56 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.233 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 3.7 tt0 -66.64 -45.46 78.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.586 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.18 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.507 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.83 98.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -74.58 -34.85 62.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.442 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.348 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.752 0 N-CA-C 112.325 -0.31 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.48 -51.37 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -53.75 -49.66 57.21 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.746 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.45 82.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.261 . . . . 0.0 111.433 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.39 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.131 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.21 99.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.016 0.436 . . . . 0.0 110.657 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 16.9 m -63.54 -37.45 87.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.461 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.46 98.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 866' ' ' ALA . 87.2 t -62.06 -46.72 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.482 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 8.0 m -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.085 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.82 -41.85 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.02 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . 0.453 ' HB3' HG22 ' A' ' 862' ' ' ILE . . . -60.41 -46.57 89.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.809 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.541 178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.62 -43.42 89.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.529 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -52.31 66.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.687 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.572 HD12 HD13 ' A' ' 840' ' ' ILE . 1.5 tp -62.83 -38.18 89.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.3 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.328 -0.365 0 O-C-N 123.084 0.24 . . . . 0.0 111.48 -177.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.696 0.284 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 23.2 p -66.49 -38.25 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.468 . . . . 0.0 110.584 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.81 -45.54 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.991 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 89.4 m -61.33 -47.8 84.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.452 HD13 HD23 ' A' ' 836' ' ' LEU . 5.5 mt -59.87 -56.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.099 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.19 -52.55 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.253 -178.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 20.9 m -57.91 -42.97 85.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.221 0.326 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.501 HG13 ' HB2' ' A' ' 829' ' ' LEU . 2.1 t -65.08 -51.62 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.18 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.32 -41.33 98.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 110.792 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 22.1 tp10 -66.44 -29.67 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.202 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 27.7 m-20 -64.88 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.581 177.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.429 HG22 ' HG2' ' A' ' 822' ' ' MET . 4.1 mt -62.53 -33.34 59.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.655 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.417 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 41.7 m-85 -66.27 -37.4 85.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.547 177.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.32 -32.54 55.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.48 19.83 18.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.391 -176.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.569 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 ttm -64.77 98.86 0.29 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.36 -29.74 2.14 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -92.23 106.18 18.24 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -57.93 -47.52 82.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.638 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -65.24 -45.59 90.61 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.569 -175.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.6 tp10 -66.35 -43.08 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.492 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.569 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 12.5 mtp -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.18 -38.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.192 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -56.42 -54.87 40.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 69.9 mm-40 -62.35 -42.19 99.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.54 70.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.98 -45.69 76.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.2 -33.26 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.469 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.501 ' HB2' HG13 ' A' ' 808' ' ' VAL . 5.8 tp -60.07 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.328 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -60.54 -38.27 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.661 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -64.99 -49.34 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.83 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.92 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.104 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.0 m -65.17 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 56.2 m -61.31 -40.95 96.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.58 -40.67 69.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.737 HD22 ' HG ' ' A' ' 863' ' ' LEU . 34.5 tp -59.15 -51.73 68.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 79.3 t -65.84 -36.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.581 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -61.29 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.7 89.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.587 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.572 HD13 HD12 ' A' ' 781' ' ' LEU . 10.8 mt -61.69 -41.69 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.434 ' HA ' HD22 ' A' ' 857' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.317 0.58 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 841' ' ' LYS . 2.2 mt -75.72 -25.5 56.66 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.872 -174.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 862' ' ' ILE . 46.5 m -72.0 -41.12 67.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 175.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.619 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -63.8 -42.14 97.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.183 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.438 ' HB3' HD11 ' A' ' 840' ' ' ILE . . . -64.79 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.94 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -63.23 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.15 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 859' ' ' ALA . 4.2 mt -63.5 -41.98 94.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.119 176.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.737 ' HG ' HD22 ' A' ' 836' ' ' LEU . 0.2 OUTLIER -53.36 -56.79 13.87 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.914 177.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.75 -47.22 78.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.555 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.05 -45.34 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.459 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.6 ' HB3' HG21 ' A' ' 774' ' ' VAL . . . -62.3 -34.16 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.447 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 830' ' ' ALA . 95.0 m -66.19 -43.6 86.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.01 -40.56 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 110.39 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . 0.428 ' O ' ' HB1' ' A' ' 873' ' ' ALA . 10.2 mptt -64.43 -35.04 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.195 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.417 ' HG2' HG23 ' A' ' 774' ' ' VAL . 0.0 OUTLIER -67.58 -48.95 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.687 177.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -61.99 -39.04 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.406 . . . . 0.0 110.244 178.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.553 ' N ' HG12 ' A' ' 871' ' ' VAL . 0.9 OUTLIER -68.6 -37.3 79.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.704 179.692 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 869' ' ' LYS . . . -71.2 -51.0 27.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.25 89.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -73.7 -25.6 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.047 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 -179.707 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.46 -43.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.51 0.195 . . . . 0.0 111.234 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.07 -48.01 85.55 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.678 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.52 -40.11 85.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.719 0.295 . . . . 0.0 111.07 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -67.84 -45.03 75.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.25 82.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 14.8 m -63.85 -32.11 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.009 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 777' ' ' ALA . . . -60.72 -44.56 96.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.461 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.424 ' HB ' HG23 ' A' ' 809' ' ' THR . 48.9 t -63.99 -41.09 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.3 m -59.26 -48.85 80.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -67.75 -42.06 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 780' ' ' GLU . . . -63.14 -41.14 99.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.576 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.481 ' CD2' ' HG ' ' A' ' 806' ' ' LEU . 1.1 tp -64.49 -45.43 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.769 0.319 . . . . 0.0 110.388 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.47 -33.59 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 777' ' ' ALA . 10.0 mm-40 -58.93 -53.01 63.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.999 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.58 -46.99 83.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.16 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.711 -176.6 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.564 0.221 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 1.1 p -61.67 -37.19 83.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.261 0.553 . . . . 0.0 110.056 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.88 -46.01 91.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.667 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 12.0 m -59.25 -45.61 90.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.995 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.252 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 778' ' ' LEU . 5.4 mt -58.17 -46.23 86.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.887 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.8 m -58.0 -48.34 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.284 . . . . 0.0 110.767 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.548 HG12 ' HB2' ' A' ' 829' ' ' LEU . 17.1 t -62.37 -53.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.396 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.586 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.1 m -61.27 -37.14 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 5.1 tt0 -68.59 -33.95 74.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.275 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.01 -30.99 72.02 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.763 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.612 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 4.2 mt -69.51 -26.85 32.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.407 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 51.1 m-85 -70.42 -34.53 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.196 0.522 . . . . 0.0 109.865 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -32.2 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.857 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.612 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 54.6 p -90.87 -7.44 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.568 -176.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.637 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.1 ttt -53.13 114.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 111.054 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.26 -25.0 6.44 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.0 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -107.79 98.39 7.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -53.52 -43.76 68.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.976 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.73 -50.89 60.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.127 -0.558 . . . . 0.0 113.344 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.457 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 5.4 tp10 -70.76 -40.02 72.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.913 0.356 . . . . 0.0 110.914 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 19.3 mtp -57.72 -44.31 85.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.74 -40.79 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.457 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.0 OUTLIER -58.35 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.734 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -63.02 -41.6 99.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -57.13 -37.03 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -64.26 -43.52 94.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.528 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 6.2 mt -66.65 -38.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.379 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.728 ' HG ' HG22 ' A' ' 867' ' ' THR . 6.2 tp -57.52 -49.02 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.534 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.05 -38.5 76.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.256 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -71.65 -49.27 41.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.77 80.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.82 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 9.4 m -62.58 -38.16 89.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -41.09 87.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.587 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.676 HD23 ' HG ' ' A' ' 863' ' ' LEU . 12.1 tp -60.55 -51.67 68.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.144 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.83 -43.16 96.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.932 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -63.57 -38.51 91.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.01 -49.31 77.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.886 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 7.2 mt -65.41 -42.38 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.685 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.467 ' HA ' HD22 ' A' ' 857' ' ' LEU . 9.4 tttm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.823 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 CA--C 1.517 -0.321 0 CA-C-O 121.519 0.676 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 841' ' ' LYS . 4.3 mt -75.77 -26.22 57.17 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.02 -176.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 862' ' ' ILE . 42.5 m -75.12 -41.53 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.423 177.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.574 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -64.77 -42.43 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 177.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.11 73.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -63.66 -41.14 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.693 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 859' ' ' ALA . 9.4 mt -64.42 -37.66 80.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.224 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.676 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.5 OUTLIER -53.87 -54.57 36.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.467 177.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.54 79.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.222 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.71 -46.39 87.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.96 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.728 HG22 ' HG ' ' A' ' 829' ' ' LEU . 77.9 m -65.53 -39.11 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.203 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.17 98.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.6 81.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.21 177.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.591 ' HE2' HD11 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -63.99 -49.37 72.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 176.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.491 HG22 ' HE3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -65.12 -33.51 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.474 178.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.54 -44.96 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.531 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.33 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.307 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.34 87.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.491 ' HE3' HG22 ' A' ' 871' ' ' VAL . 30.7 mttt -73.06 -37.63 66.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.943 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.39 -178.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.31 -0.316 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.93 -40.54 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.527 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.55 65.59 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.4 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.61 95.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -65.25 -47.94 75.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.364 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 813' ' ' PHE . . . -61.44 -42.39 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 50.3 m -62.66 -40.61 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.445 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.36 95.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.45 -49.94 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.9 m -58.44 -40.06 81.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.902 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -70.6 -45.95 64.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.59 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.11 0.481 . . . . 0.0 110.671 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.637 HD12 HG22 ' A' ' 805' ' ' ILE . 5.0 tp -63.16 -44.31 95.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.426 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.1 -37.64 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.95 -47.29 85.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.25 0.548 . . . . 0.0 110.358 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 859' ' ' ALA . 0.9 OUTLIER -67.63 -39.12 84.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.404 177.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.472 -178.905 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 836' ' ' LEU . . . . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.451 0.167 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.602 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.201 0.524 . . . . 0.0 110.565 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.03 -50.29 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.891 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.0 m -61.16 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.499 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.637 HG22 HD12 ' A' ' 778' ' ' LEU . 6.5 mt -58.54 -51.41 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.589 0.233 . . . . 0.0 111.05 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -51.4 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.9 m -61.2 -42.2 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.403 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 829' ' ' LEU . 12.2 t -62.23 -52.16 63.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.74 0.305 . . . . 0.0 110.987 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.701 ' HA ' HD13 ' A' ' 812' ' ' ILE . 1.2 m -63.02 -39.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -40.36 86.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.294 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -63.45 -37.84 88.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 809' ' ' THR . 5.2 mt -61.06 -38.39 79.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 110.408 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 771' ' ' ALA . 30.5 m-85 -62.54 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 178.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -28.9 64.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.543 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -103.98 22.66 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.413 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.9 ttm -63.09 102.37 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 136.27 -33.41 2.37 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -176.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -87.76 87.33 7.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -53.35 -42.86 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.896 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.95 -44.7 96.92 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.578 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.04 -40.95 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.386 . . . . 0.0 110.545 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 22.8 mtp -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.11 -41.24 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.362 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -54.74 40.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.54 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -63.84 -40.54 96.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.662 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.476 ' HB3' HG21 ' A' ' 871' ' ' VAL . . . -59.54 -40.81 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -62.82 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.396 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 16.7 mt -67.5 -42.97 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.64 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.9 tp -54.76 -48.82 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.149 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.85 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.88 -43.79 78.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.5 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.634 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.32 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.3 m -59.62 -38.2 80.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.11 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -42.78 78.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.32 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 801' ' ' ALA . 24.9 tp -61.16 -52.16 66.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.61 -43.66 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.032 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.736 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.53 69.23 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.522 HD11 HD12 ' A' ' 781' ' ' LEU . 47.8 mt -61.68 -45.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.167 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 121.121 0.486 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.5 mt -69.62 -30.26 67.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.996 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.1 m -72.04 -42.51 66.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.59 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.614 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.69 -39.29 93.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.369 176.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.91 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.247 176.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 859' ' ' ALA . 6.4 mt -68.15 -42.17 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.816 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.477 HD11 ' HA ' ' A' ' 863' ' ' LEU . 0.3 OUTLIER -52.48 -54.62 29.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.666 177.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.49 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.221 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.8 75.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.123 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.64 HG23 ' HG ' ' A' ' 829' ' ' LEU . 91.6 m -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.347 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.1 94.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -59.23 -41.89 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.971 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.555 ' HA ' ' HB3' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -61.71 -50.91 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.91 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -64.43 -36.82 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.642 -178.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.489 ' N ' HG13 ' A' ' 871' ' ' VAL . 1.0 OUTLIER -71.73 -39.7 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.628 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.16 -48.53 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.093 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.54 94.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.236 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -69.59 -37.98 77.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.71 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.462 -179.746 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 5.1 t -57.23 -49.22 80.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.561 0.219 . . . . 0.0 111.335 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.86 -48.89 75.0 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.732 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.81 80.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.667 0.27 . . . . 0.0 111.196 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -65.07 -41.64 94.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.291 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.72 95.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 110.608 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -38.37 90.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.599 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.1 93.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.935 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.571 HG22 ' HB1' ' A' ' 866' ' ' ALA . 60.2 t -64.33 -46.91 91.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 110.426 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.4 m -58.33 -40.79 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.928 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -44.78 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.48 89.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.604 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.471 HD11 HG22 ' A' ' 802' ' ' THR . 5.4 tp -64.14 -48.33 76.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.516 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -60.13 -40.56 90.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.62 -55.42 35.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.478 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.52 HD21 HD11 ' A' ' 840' ' ' ILE . 0.8 OUTLIER -61.64 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . 0.45 ' HG ' HG23 ' A' ' 802' ' ' THR . 1.7 mt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.598 0.237 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.471 HG22 HD11 ' A' ' 778' ' ' LEU . 0.7 OUTLIER -63.34 -42.33 98.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -177.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.74 -48.09 83.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.787 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 32.4 m -60.11 -47.53 85.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 6.1 mt -57.97 -53.14 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.742 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.38 -52.76 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.181 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.6 m -57.93 -42.81 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.121 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.541 HG12 ' HB2' ' A' ' 829' ' ' LEU . 10.1 t -68.54 -48.38 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.326 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.681 ' HA ' HD11 ' A' ' 812' ' ' ILE . 2.1 m -65.36 -39.57 92.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.063 0.459 . . . . 0.0 110.72 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -30.71 70.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 176.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.8 -34.58 78.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.945 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -66.21 -29.89 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.597 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.34 -39.46 93.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.12 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -27.33 53.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.647 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 23.7 p -94.15 -1.2 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.528 -176.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.492 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.7 ttm -59.62 101.19 0.1 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.247 0.546 . . . . 0.0 110.453 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 140.67 -40.35 1.38 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -100.07 85.56 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.629 ' HA ' ' HB2' ' A' ' 822' ' ' MET . . . -62.26 -25.59 67.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.927 -173.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.81 98.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.495 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.409 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 18.8 tp10 -72.52 -34.18 67.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.629 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 32.1 mtp -59.94 -51.26 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.99 -37.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.299 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.472 ' HD3' HD12 ' A' ' 828' ' ' ILE . 0.4 OUTLIER -57.88 -52.57 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.135 175.576 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.703 ' HA ' HD11 ' A' ' 828' ' ' ILE . 53.8 mm-40 -63.06 -42.25 99.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.458 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.414 ' HB3' HG21 ' A' ' 871' ' ' VAL . . . -56.69 -37.6 71.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.021 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -42.49 99.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.466 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 825' ' ' GLN . 4.2 mt -66.77 -40.43 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.174 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.541 ' HB2' HG12 ' A' ' 808' ' ' VAL . 11.5 tp -56.84 -48.94 76.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.188 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.63 -44.17 80.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -68.33 -41.13 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.1 86.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.334 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.1 m -66.14 -33.34 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.184 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -43.4 91.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.8 -46.32 82.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.394 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.434 ' HG ' HD13 ' A' ' 840' ' ' ILE . 56.3 tp -61.65 -52.02 66.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.758 -177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.525 HG13 ' HB2' ' A' ' 860' ' ' ALA . 86.0 t -66.22 -37.42 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.653 0.263 . . . . 0.0 110.971 -175.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -70.16 -35.69 74.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.06 95.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 781' ' ' LEU . 14.0 mt -65.77 -41.41 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.59 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 41.9 tttm . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.99 179.366 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 93.5 mt . . . . . 0 N--CA 1.441 -0.881 0 CA-C-O 121.13 0.491 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 8.3 mt -71.31 -31.09 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.044 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.7 m -64.0 -39.55 94.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.525 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -72.16 -40.95 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 177.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.525 ' HB2' HG13 ' A' ' 837' ' ' VAL . . . -63.4 -27.61 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.83 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.83 99.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.202 176.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 859' ' ' ALA . 2.8 mt -66.83 -41.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.865 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.407 ' HG ' HD22 ' A' ' 836' ' ' LEU . 0.4 OUTLIER -52.52 -53.8 41.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.404 176.723 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.666 -177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.38 -45.77 91.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.96 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.571 ' HB1' HG22 ' A' ' 774' ' ' VAL . . . -61.76 -38.3 87.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.435 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 82.1 m -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.53 -46.49 85.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -43.43 92.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.115 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.494 ' HA ' ' HB3' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -61.53 -52.17 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.818 178.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -62.6 -38.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.164 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.9 mm-40 -74.88 -33.47 62.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.981 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.44 -44.14 68.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.826 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -69.67 -42.39 74.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.509 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.9 179.276 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . 0.578 ' HB ' ' HE1' ' A' ' 816' ' ' MET . 1.6 t -62.92 -40.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.662 0.268 . . . . 0.0 110.79 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.16 -47.54 86.82 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.545 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.83 75.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.313 . . . . 0.0 110.849 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.47 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -62.77 -44.72 95.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.7 m -63.94 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.306 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 866' ' ' ALA . 33.2 t -65.13 -43.77 95.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.214 176.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 775' ' ' THR . . . . . 0.505 HG21 HD22 ' A' ' 806' ' ' LEU . 2.5 m -55.8 -45.28 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.743 178.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 780' ' ' GLU . 3.5 mm100 -66.39 -50.12 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.931 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.9 83.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.498 ' HG ' HG22 ' A' ' 802' ' ' THR . 3.9 tp -64.25 -41.89 96.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.48 -41.01 93.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 70.2 mm-40 -63.24 -45.8 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.655 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.649 HD12 HD23 ' A' ' 863' ' ' LEU . 4.2 tp -61.35 -40.52 94.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.095 -175.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.134 -177.338 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.655 0.264 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.498 HG22 ' HG ' ' A' ' 778' ' ' LEU . 0.9 OUTLIER -62.86 -40.58 97.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 0.0 110.32 178.222 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.46 -42.22 95.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.723 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 20.9 m -59.46 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.619 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 3.3 mt -57.71 -52.06 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.856 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.505 HD22 HG21 ' A' ' 775' ' ' THR . 1.9 mt -54.05 -47.99 71.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.5 m -61.13 -40.13 92.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.4 -47.54 83.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.664 ' HA ' HD13 ' A' ' 812' ' ' ILE . 1.8 m -62.35 -42.11 99.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 0.0 110.615 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.53 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.293 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.563 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 3.9 m-20 -61.79 -43.74 98.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.273 175.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -61.07 -42.13 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -59.77 -38.17 81.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.153 0.501 . . . . 0.0 110.509 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 6.5 m -83.65 -1.82 54.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.409 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.7 m -127.76 26.27 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.953 0.406 . . . . 0.0 110.549 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.578 ' HE1' ' HB ' ' A' ' 767' ' ' VAL . 3.6 mmt -63.69 108.85 1.52 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.757 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.3 -10.24 22.27 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.123 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.28 -31.82 58.47 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.145 0.498 . . . . 0.0 110.564 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.58 -62.61 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.754 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.31 -49.98 72.65 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.403 -0.427 . . . . 0.0 112.966 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.518 ' OE1' ' HD2' ' A' ' 824' ' ' ARG . 6.5 tp10 -64.99 -34.79 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.052 0.453 . . . . 0.0 110.221 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.466 ' HB3' ' HE3' ' A' ' 822' ' ' MET . 51.1 mtp -62.85 -47.36 83.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.23 -39.7 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.263 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.645 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 0.1 OUTLIER -55.37 -51.44 66.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.309 175.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.658 ' HA ' HD11 ' A' ' 828' ' ' ILE . 55.5 mm-40 -64.79 -39.49 93.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' A' ' 871' ' ' VAL . . . -58.86 -33.53 70.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.645 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 11.3 mtt180 -64.11 -46.46 84.11 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.126 175.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 825' ' ' GLN . 3.1 mt -63.24 -43.19 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.273 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.429 ' HG ' HG23 ' A' ' 867' ' ' THR . 13.3 tp -58.37 -48.93 79.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.5 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.85 83.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -60.89 -49.14 78.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.141 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.86 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.722 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 8.8 m -66.29 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.0 m -59.8 -42.12 92.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.091 0.472 . . . . 0.0 109.978 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.87 -42.63 66.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.244 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.69 -51.81 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.129 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 64.4 t -61.58 -42.74 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.772 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.63 -36.95 85.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.79 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 781' ' ' LEU . 4.7 mt -63.4 -35.99 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.449 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 CA--C 1.515 -0.377 0 CA-C-O 121.356 0.598 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.2 mt -75.87 -22.69 55.92 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.138 -177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 862' ' ' ILE . 11.8 m -67.29 -36.33 81.32 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 173.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -72.14 -38.54 69.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.197 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.78 75.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.512 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -64.04 -39.54 94.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.39 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 858' ' ' SER . 9.7 mt -66.92 -40.42 85.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.993 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 781' ' ' LEU . 0.3 OUTLIER -52.72 -53.35 49.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 176.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.02 83.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.344 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.29 -48.65 80.83 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.248 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.474 ' HB3' HG23 ' A' ' 774' ' ' VAL . . . -66.43 -38.85 88.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.879 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.429 HG23 ' HG ' ' A' ' 829' ' ' LEU . 86.2 m -66.15 -38.28 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.935 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.51 -43.15 91.02 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.199 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . 0.468 ' O ' ' HB1' ' A' ' 873' ' ' ALA . 0.0 OUTLIER -65.34 -33.8 76.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.085 177.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -66.07 -50.68 63.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.414 176.456 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 826' ' ' ALA . 0.5 OUTLIER -61.85 -38.89 81.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.324 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 2.1 tt0 -68.52 -37.74 80.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 869' ' ' LYS . . . -70.81 -44.95 65.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.086 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.89 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.391 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -77.84 -32.29 52.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.282 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.515 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 770' ' ' ALA . . . . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.41 -44.71 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.552 0.215 . . . . 0.0 111.493 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.37 -54.7 35.52 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.559 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.77 0.319 . . . . 0.0 111.109 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.735 ' HB3' ' HB3' ' A' ' 869' ' ' LYS . . . -63.7 -45.54 89.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.17 86.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 5.4 m -61.89 -35.15 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.8 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.437 ' CG2' ' HG3' ' A' ' 870' ' ' MET . 41.3 t -63.91 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.4 m -57.93 -44.79 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -69.22 -48.37 62.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.061 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.18 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.45 -48.24 82.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.827 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.9 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.77 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.16 -57.7 7.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 110.644 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.67 HD11 HD12 ' A' ' 840' ' ' ILE . 1.0 OUTLIER -59.96 -38.7 83.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.359 -176.521 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.327 -0.393 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.294 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.647 0.26 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.447 ' HA ' HD12 ' A' ' 805' ' ' ILE . 22.0 p -66.15 -35.01 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.959 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.4 -47.12 86.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.041 0.448 . . . . 0.0 109.997 175.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 7.5 m -59.98 -45.22 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.697 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 802' ' ' THR . 9.9 mt -60.34 -55.77 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.17 -43.29 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 37.7 m -62.08 -38.12 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 110.269 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 829' ' ' LEU . 2.3 t -62.03 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.445 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -43.26 95.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.062 0.458 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.51 -37.33 83.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.174 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -61.37 -48.53 80.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.517 HD11 ' HE3' ' A' ' 870' ' ' MET . 4.9 mt -61.54 -40.92 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.738 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -59.56 -43.89 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 9.7 m -74.92 -36.34 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.6 m -96.85 21.9 8.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.413 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 4.9 ttm -65.3 104.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.393 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.55 -25.32 4.02 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.935 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -74.0 -28.46 61.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.242 0.544 . . . . 0.0 110.366 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 70.69 -60.8 0.49 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.424 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.08 -52.88 50.74 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.722 -177.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.22 -34.55 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.062 0.458 . . . . 0.0 110.078 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 33.8 mtp -62.08 -51.49 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.366 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.431 ' O ' ' HD3' ' A' ' 827' ' ' ARG . 95.4 t -62.59 -41.02 90.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -54.98 -53.87 50.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.686 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -63.55 -39.13 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.15 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.016 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 823' ' ' VAL . 3.5 mpp_? -66.6 -41.27 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 6.7 mt -69.41 -35.28 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.152 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.53 ' HB2' HG12 ' A' ' 808' ' ' VAL . 8.8 tp -57.11 -48.54 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.208 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.91 75.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.15 -54.2 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.883 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.71 89.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.086 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 34.1 m -62.02 -37.47 85.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 39.2 m -62.95 -36.9 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.579 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.28 -40.5 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.099 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.671 HD23 ' HG ' ' A' ' 863' ' ' LEU . 22.9 tp -60.44 -52.0 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.789 178.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.453 ' HA ' HD13 ' A' ' 840' ' ' ILE . 55.8 t -62.42 -33.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.799 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.96 -46.18 88.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.867 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.67 HD12 HD11 ' A' ' 781' ' ' LEU . 5.4 mt -65.77 -44.37 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.52 ' HA ' HD23 ' A' ' 857' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.022 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.449 -0.489 0 CA-C-O 121.526 0.679 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -31.9 59.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.934 -175.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 862' ' ' ILE . 52.7 m -66.05 -40.73 91.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.505 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -63.7 -41.32 98.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.082 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.43 76.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.869 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -64.66 -39.97 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.242 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 859' ' ' ALA . 17.4 mt -65.08 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.671 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.3 OUTLIER -54.49 -50.36 67.97 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.281 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.48 81.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.71 -50.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.044 0.449 . . . . 0.0 110.843 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.3 86.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 97.6 m -62.18 -42.76 99.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.96 99.57 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . 0.735 ' HB3' ' HB3' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -61.08 -41.2 96.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.087 177.289 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.517 ' HE3' HD11 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -62.35 -51.36 67.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.81 179.099 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.564 HG11 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -63.8 -38.08 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.046 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.564 ' N ' HG11 ' A' ' 871' ' ' VAL . 8.8 tp10 -66.14 -49.49 67.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.753 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -43.64 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.44 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.91 90.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.054 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -30.42 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.733 -177.734 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.601 -0.2 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.27 -39.23 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.733 0.302 . . . . 0.0 110.665 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -60.23 -53.44 45.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.495 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.73 99.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 111.01 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.1 -45.31 81.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.284 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . 0.416 ' HB1' ' CZ ' ' A' ' 813' ' ' PHE . . . -63.95 -44.97 91.21 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.026 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 89.6 m -61.65 -37.46 84.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.66 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.445 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.13 -44.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.401 . . . . 0.0 110.472 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 18.9 m -57.16 -42.24 80.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.99 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.38 -45.44 87.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.08 98.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.61 HD23 ' HB2' ' A' ' 806' ' ' LEU . 0.5 OUTLIER -62.02 -45.55 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.016 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -58.58 -37.87 76.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.3 -54.2 36.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.843 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.592 HD12 ' HB2' ' A' ' 859' ' ' ALA . 0.9 OUTLIER -64.1 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.156 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 110.535 179.356 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.705 0.288 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 778' ' ' LEU . 0.6 OUTLIER -62.93 -39.73 95.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.568 178.293 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.41 -47.26 86.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.506 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.3 m -59.25 -45.42 91.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.76 -53.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.945 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.61 ' HB2' HD23 ' A' ' 778' ' ' LEU . 0.1 OUTLIER -54.37 -46.49 73.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.5 m -61.95 -46.21 90.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.509 HG12 ' HB2' ' A' ' 829' ' ' LEU . 2.6 t -57.97 -48.28 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.628 ' HA ' HD13 ' A' ' 812' ' ' ILE . 1.3 m -63.16 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.846 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.28 -41.44 98.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.157 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.85 -37.6 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.554 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.628 HD13 ' HA ' ' A' ' 809' ' ' THR . 4.9 mt -64.96 -36.52 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.416 ' CZ ' ' HB1' ' A' ' 771' ' ' ALA . 22.0 m-85 -60.97 -47.4 86.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 110.453 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -35.82 80.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.319 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.0 m -98.52 22.56 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 9.5 ttm -67.09 96.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 0.0 110.456 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.16 -5.52 7.28 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.89 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.26 -22.62 30.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.229 0.538 . . . . 0.0 110.182 176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 67.69 -65.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.438 -1.256 . . . . 0.0 112.102 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.9 62.29 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.546 -0.359 . . . . 0.0 112.888 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -61.09 -38.79 87.52 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 40.0 mtp -60.5 -51.51 69.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.788 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.17 -39.1 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -54.76 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.555 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -63.38 -40.21 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.471 ' HB2' HG22 ' A' ' 871' ' ' VAL . . . -59.76 -36.87 77.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.29 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -64.9 -42.14 95.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.957 0.408 . . . . 0.0 110.435 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 7.0 mt -68.12 -37.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.085 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.509 ' HB2' HG12 ' A' ' 808' ' ' VAL . 19.8 tp -57.51 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.353 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.85 93.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.03 -45.85 83.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.05 69.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.59 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.5 m -62.42 -31.31 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -59.66 -45.73 91.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.02 -39.01 76.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.396 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.739 HD23 ' HG ' ' A' ' 863' ' ' LEU . 27.4 tp -60.46 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.993 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.27 -40.8 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 0.0 110.554 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.65 -40.31 94.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.82 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.92 91.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.749 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.414 HD11 HD21 ' A' ' 781' ' ' LEU . 5.0 mt -61.62 -44.58 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 177.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.801 178.062 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.398 0.618 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.81 -22.44 56.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.514 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.441 ' O ' HG13 ' A' ' 862' ' ' ILE . 51.9 m -73.0 -44.19 61.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.914 0.387 . . . . 0.0 110.007 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -63.66 -39.81 95.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.367 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.77 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.74 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -41.55 97.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.445 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 859' ' ' ALA . 6.7 mt -62.33 -42.55 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.739 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.3 OUTLIER -54.75 -54.58 40.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.559 177.545 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -63.34 -48.77 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.39 -36.37 83.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 73.7 m -61.68 -41.03 97.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.846 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -66.85 -35.91 81.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.759 0.314 . . . . 0.0 110.734 177.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -63.98 -41.71 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.539 ' HE2' HG21 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -68.24 -50.24 55.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.093 179.464 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 826' ' ' ALA . 0.3 OUTLIER -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.689 -178.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.48 -33.21 64.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.38 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.889 0.376 . . . . 0.0 110.462 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.09 89.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -35.93 82.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.795 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.61 179.114 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 112.85 -0.1 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.12 -42.32 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.41 -47.32 88.93 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.458 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.09 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.693 0.282 . . . . 0.0 111.152 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -67.68 -42.77 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.488 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.48 98.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.159 0.504 . . . . 0.0 110.761 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 20.5 m -65.96 -34.59 78.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.892 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.47 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.851 0.358 . . . . 0.0 110.556 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.497 HG23 ' HB3' ' A' ' 866' ' ' ALA . 83.9 t -63.89 -44.3 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 14.8 m -58.02 -46.54 85.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.982 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.33 -41.16 81.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.29 90.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 110.761 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' A' ' 806' ' ' LEU . 1.2 tp -66.09 -42.56 89.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.753 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.15 -37.79 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.38 -51.96 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.718 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 859' ' ' ALA . 0.5 OUTLIER -68.72 -37.49 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.361 -176.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--N 1.33 -0.243 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.431 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.827 0.346 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -42.83 99.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.518 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.88 -39.94 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.735 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 26.9 m -59.43 -49.72 76.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.44 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.8 mt -59.19 -50.55 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 778' ' ' LEU . 1.0 OUTLIER -52.82 -48.6 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 178.269 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.5 m -60.08 -46.16 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.199 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.598 HG12 ' HB2' ' A' ' 829' ' ' LEU . 25.2 t -64.39 -47.34 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.588 0.232 . . . . 0.0 111.347 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.2 m -63.42 -40.07 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.472 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -37.75 88.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.937 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -61.06 -42.6 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.411 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.4 mt -63.42 -37.77 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.95 -46.71 88.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.132 0.491 . . . . 0.0 110.309 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 1.5 m -67.22 -49.36 64.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.16 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.7 m -88.81 31.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.696 0.284 . . . . 0.0 111.525 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.404 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 3.7 ttm -68.07 105.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.93 -22.62 5.4 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 0.4 OUTLIER -84.36 82.89 8.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.762 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -50.34 -58.61 5.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.85 95.06 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.82 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 19.1 tp10 -62.8 -43.15 99.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.819 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.411 ' HG2' HG23 ' A' ' 812' ' ' ILE . 13.6 mtp -59.76 -47.12 86.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 23.9 t -62.76 -41.98 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.093 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.888 ' HA ' ' HD3' ' A' ' 827' ' ' ARG . 2.8 tmm_? -55.37 -51.56 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -65.53 -35.36 80.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.47 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.27 98.99 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.888 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -69.66 -28.62 66.03 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.379 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 40.4 mt -70.06 -42.42 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.598 ' HB2' HG12 ' A' ' 808' ' ' VAL . 15.5 tp -55.82 -47.42 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.587 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.644 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -58.16 -38.36 76.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.977 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.85 -49.22 31.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.232 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.58 95.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.288 -176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.54 HG23 ' OG1' ' A' ' 867' ' ' THR . 5.5 m -65.97 -33.96 77.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.993 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -39.73 95.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.92 -41.59 91.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.248 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.847 HD23 ' HG ' ' A' ' 863' ' ' LEU . 15.3 tp -59.29 -52.0 67.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.893 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.509 HG22 ' HB1' ' A' ' 864' ' ' ALA . 89.6 t -64.99 -41.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -61.56 -45.19 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.52 90.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.445 HD11 HD22 ' A' ' 781' ' ' LEU . 6.5 mt -63.8 -49.35 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.846 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.407 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.441 -0.912 0 CA-C-O 121.153 0.501 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.2 mt -68.32 -36.55 79.46 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.942 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.7 m -62.21 -47.64 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.227 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.591 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -64.82 -39.23 93.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.09 -32.05 73.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -43.75 98.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.25 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.591 HD13 ' HA ' ' A' ' 859' ' ' ALA . 1.0 OUTLIER -67.11 -36.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.275 176.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.847 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.1 OUTLIER -55.0 -56.37 20.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.541 177.532 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 837' ' ' VAL . . . -66.34 -36.02 81.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.721 -177.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.46 -42.71 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.551 . . . . 0.0 110.11 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.497 ' HB3' HG23 ' A' ' 774' ' ' VAL . . . -64.4 -34.28 77.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.938 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -62.5 -44.35 96.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.331 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.61 88.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.512 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.53 -43.89 92.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.251 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.503 ' HA ' ' HB3' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -66.26 -49.06 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -62.53 -35.97 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.268 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.581 ' N ' HG13 ' A' ' 871' ' ' VAL . 1.6 tt0 -67.6 -40.28 84.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.73 -45.25 65.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.963 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.83 96.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -69.03 -27.08 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.438 . . . . 0.0 110.749 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.69 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.16 -45.26 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.449 0.166 . . . . 0.0 110.809 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -54.04 -52.11 45.53 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.634 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.14 97.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 869' ' ' LYS . . . -64.63 -45.21 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.137 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 813' ' ' PHE . . . -62.72 -41.04 98.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.4 m -62.8 -43.95 97.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.366 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.88 79.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.36 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.523 HG21 ' HB1' ' A' ' 866' ' ' ALA . 96.3 t -62.7 -50.3 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.878 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.6 m -59.16 -40.38 85.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.74 -39.37 70.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.43 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 110.263 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 802' ' ' THR . 2.4 tp -61.56 -45.01 95.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.293 176.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -57.44 -43.84 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.86 -54.22 49.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.621 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.499 HD13 HD11 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -60.76 -43.6 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.126 -178.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . 0.486 ' HG ' HG21 ' A' ' 802' ' ' THR . 5.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.138 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.557 0.218 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.526 ' HA ' HD12 ' A' ' 778' ' ' LEU . 1.9 p -59.09 -46.38 88.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -178.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.51 -44.61 93.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.65 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.6 m -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.61 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 4.0 mt -57.25 -53.98 36.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.693 0.282 . . . . 0.0 110.787 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.471 ' HB2' HD21 ' A' ' 778' ' ' LEU . 1.5 tt -55.24 -47.72 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.9 m -58.08 -44.61 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.56 HG12 ' HB2' ' A' ' 829' ' ' LEU . 5.2 t -65.15 -48.59 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.445 ' HA ' HD11 ' A' ' 812' ' ' ILE . 1.0 OUTLIER -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.704 0.287 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.44 -33.83 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.325 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.6 m-20 -61.58 -39.93 92.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.489 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.589 HD13 ' HE3' ' A' ' 870' ' ' MET . 4.4 mt -65.51 -33.78 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 771' ' ' ALA . 23.7 m-85 -64.82 -47.35 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.427 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 49.5 m -109.52 34.73 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.778 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.493 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.9 ttm -68.0 97.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.34 0.591 . . . . 0.0 109.7 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.64 -22.87 3.46 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -173.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -88.97 83.62 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.424 ' O ' HG21 ' A' ' 823' ' ' VAL . . . -45.28 -57.85 3.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.946 -1.025 . . . . 0.0 113.278 -173.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 824' ' ' ARG . . . -55.82 -48.27 73.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.754 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 6.1 tp10 -68.38 -40.58 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.538 0.209 . . . . 0.0 110.472 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.493 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 7.9 mtp -57.94 -50.32 73.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' A' ' 875' ' ' LYS . 38.2 t -67.35 -39.48 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.174 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 820' ' ' GLY . 0.4 OUTLIER -55.79 -55.03 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.779 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.528 ' HB3' HG13 ' A' ' 808' ' ' VAL . 78.4 mm-40 -61.62 -39.08 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.465 0.478 . . . . 0.0 110.621 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.416 ' HB3' HG21 ' A' ' 871' ' ' VAL . . . -55.17 -43.04 73.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.176 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 1.7 mtp-105 -62.39 -42.21 99.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.919 0.39 . . . . 0.0 110.581 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 9.0 mt -66.76 -40.29 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.56 ' HB2' HG12 ' A' ' 808' ' ' VAL . 13.9 tp -57.54 -48.69 78.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.273 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -56.27 -46.71 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -66.7 -40.16 88.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.088 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.94 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.183 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.9 m -64.15 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.144 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.5 m -58.94 -44.36 91.39 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.93 -40.23 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.449 HD21 ' HG ' ' A' ' 863' ' ' LEU . 52.4 tp -61.46 -51.77 67.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.79 -41.9 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.84 -43.44 94.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.499 HD11 HD13 ' A' ' 781' ' ' LEU . 8.1 mt -62.56 -48.28 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.305 -177.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.344 0.592 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 3.1 mt -75.88 -29.22 58.42 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.212 -0.903 . . . . 0.0 111.621 -175.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 62.9 m -68.16 -39.52 82.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -65.58 -39.74 91.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.414 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.93 69.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.938 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.45 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.146 176.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 859' ' ' ALA . 8.2 mt -61.32 -44.21 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.045 176.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.449 ' HG ' HD21 ' A' ' 836' ' ' LEU . 0.2 OUTLIER -52.07 -51.99 54.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.878 178.279 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.8 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.06 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.51 -38.38 77.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.698 0.285 . . . . 0.0 111.523 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.523 ' HB1' HG21 ' A' ' 774' ' ' VAL . . . -64.92 -35.68 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.961 0.41 . . . . 0.0 110.519 178.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 830' ' ' ALA . 96.9 m -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.27 93.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.838 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . 0.432 ' HB3' ' HB1' ' A' ' 770' ' ' ALA . 0.1 OUTLIER -54.3 -40.64 68.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.071 176.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.589 ' HE3' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -69.3 -52.23 29.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.444 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.585 ' O ' ' HB3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -62.95 -34.44 66.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.422 . . . . 0.0 111.021 -178.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.494 ' HA ' ' HE2' ' A' ' 875' ' ' LYS . 46.5 mm-40 -75.93 -33.66 59.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.458 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -78.11 -51.13 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.31 83.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.621 -175.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.585 ' HB3' ' O ' ' A' ' 871' ' ' VAL . 0.3 OUTLIER -79.28 -24.96 42.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.095 0.474 . . . . 0.0 110.358 -177.666 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.008 178.321 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.96 -42.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.531 0.205 . . . . 0.0 111.03 -176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.17 -51.13 59.34 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.677 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.81 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -64.25 -43.53 94.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.432 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 21.3 m -62.74 -36.01 81.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.619 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 866' ' ' ALA . . . -61.72 -45.42 94.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 870' ' ' MET . 62.8 t -63.47 -44.43 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.489 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 20.6 m -57.74 -44.34 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.226 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.8 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 110.267 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.648 HD23 ' HB2' ' A' ' 806' ' ' LEU . 0.3 OUTLIER -61.56 -45.66 93.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.124 175.621 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -56.77 -47.73 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.146 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.99 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.162 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.74 -44.21 97.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.837 -174.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 782' ' ' LEU . 11.9 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.465 0.174 . . . . 0.0 111.15 -176.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.659 0.266 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -37.22 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.949 0.404 . . . . 0.0 110.581 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.02 -45.06 94.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 5.1 m -60.11 -43.03 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.479 HG22 ' CD1' ' A' ' 829' ' ' LEU . 50.4 mt -61.29 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.648 ' HB2' HD23 ' A' ' 778' ' ' LEU . 0.4 OUTLIER -55.17 -40.54 70.78 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.36 0.412 . . . . 0.0 110.987 -179.471 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 87.8 m -59.17 -41.45 88.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.483 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 825' ' ' GLN . 2.6 t -62.94 -46.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -42.97 99.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.126 0.489 . . . . 0.0 110.571 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -37.51 87.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.343 176.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -61.48 -47.44 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.395 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.577 HD13 ' HE3' ' A' ' 870' ' ' MET . 5.1 mt -58.98 -42.87 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.446 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.87 -39.05 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 70.4 m -85.62 1.0 51.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.647 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.3 m -129.03 24.5 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.741 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 mmt -62.34 105.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.477 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.18 -36.2 2.37 Favored Glycine 0 N--CA 1.445 -0.767 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -84.01 85.25 7.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -52.17 -42.18 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.91 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.2 -45.91 93.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.644 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.75 -41.69 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.813 0.34 . . . . 0.0 110.247 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 37.0 mtp -58.67 -51.55 69.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.966 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.36 -36.36 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -53.33 58.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.059 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.5 ' HB3' HG11 ' A' ' 808' ' ' VAL . 48.8 mm-40 -66.61 -41.55 88.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.731 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.507 ' HB3' HG21 ' A' ' 871' ' ' VAL . . . -59.42 -36.16 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.436 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -66.89 -39.52 87.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 110.493 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 12.5 mt -65.14 -41.23 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 805' ' ' ILE . 16.7 tp -57.41 -48.61 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.971 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.4 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -58.55 -40.4 82.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 111.036 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -46.08 62.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.89 -47.0 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.692 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.7 m -66.28 -31.35 72.11 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.466 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.4 m -59.69 -44.6 93.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.98 0.419 . . . . 0.0 110.038 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -65.24 -46.41 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.288 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.686 HD23 ' HG ' ' A' ' 863' ' ' LEU . 28.6 tp -56.66 -52.1 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.334 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.5 HG12 ' HB1' ' A' ' 860' ' ' ALA . 78.8 t -67.55 -40.51 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.162 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -63.38 -38.69 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 110.741 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.21 80.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.766 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 11.6 mt -62.77 -44.54 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.343 0.592 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.498 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.82 -23.71 55.8 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.823 -174.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.496 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.1 OUTLIER -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.477 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -62.58 -42.12 99.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.176 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.5 ' HB1' HG12 ' A' ' 837' ' ' VAL . . . -63.11 -34.41 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.636 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -43.42 94.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.329 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 858' ' ' SER . 16.1 mt -59.24 -45.43 93.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.124 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.059 175.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.686 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.6 OUTLIER -53.25 -53.2 54.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.657 177.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . 0.449 ' HB1' HG23 ' A' ' 837' ' ' VAL . . . -67.52 -41.62 84.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -176.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.24 -47.58 73.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 773' ' ' ALA . . . -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.428 HG22 ' HG ' ' A' ' 829' ' ' LEU . 53.8 m -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.84 177.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.69 96.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.048 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -41.18 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.577 ' HE3' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -61.28 -50.75 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.693 178.33 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -64.43 -38.55 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.695 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -46.65 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 0.0 110.701 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.11 81.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -68.0 -43.09 79.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -35.8 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.639 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.156 177.636 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.76 -44.88 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.402 0.144 . . . . 0.0 111.367 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.13 -53.39 42.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.467 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.19 98.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.696 0.284 . . . . 0.0 111.282 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.54 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -67.69 -40.42 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.19 -178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.63 85.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 8.6 m -60.99 -35.16 76.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.38 90.39 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.677 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.451 HG23 ' HB1' ' A' ' 866' ' ' ALA . 93.8 t -64.59 -44.63 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.376 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 775' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 779' ' ' ASN . 2.7 m -57.68 -47.09 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.938 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.05 -41.39 82.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.25 -45.09 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.432 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 775' ' ' THR . 1.6 t-20 -57.87 -45.96 85.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.407 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -50.33 74.12 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.963 -178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.497 HD13 ' HB1' ' A' ' 859' ' ' ALA . 1.1 tp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.252 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' A' ' 782' ' ' LEU . 5.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.726 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.52 0.2 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 7.7 p -64.35 -39.48 93.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.101 0.476 . . . . 0.0 110.64 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.2 -46.34 84.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.708 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 22.8 m -59.02 -46.51 88.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.669 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 9.6 mt -57.56 -59.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.666 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 806' ' ' LEU . 1.5 mt -54.75 -48.44 72.61 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.634 0.584 . . . . 0.0 111.953 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 m -61.05 -39.46 89.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.682 0.277 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.98 -47.22 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.649 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -41.11 99.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.172 0.51 . . . . 0.0 110.374 178.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.5 -39.24 83.17 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.468 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -69.86 -37.29 76.05 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.223 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.602 HD13 ' HE3' ' A' ' 870' ' ' MET . 4.9 mt -60.66 -33.69 55.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.503 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.74 -41.2 96.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.72 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -37.72 64.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.822 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.4 m -93.16 19.57 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.359 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.9 ttm -67.08 117.68 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 110.722 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 110.88 -15.55 28.64 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.869 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.7 -22.06 51.02 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.132 0.492 . . . . 0.0 110.693 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 69.11 -60.72 0.45 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.046 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.22 -54.41 38.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.539 -0.363 . . . . 0.0 112.927 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.434 ' OE1' ' HA ' ' A' ' 821' ' ' GLU . 1.5 tp10 -62.98 -31.71 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 0.0 110.738 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 826' ' ' ALA . 44.7 mtp -66.09 -46.73 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.4 -43.35 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.369 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -52.46 65.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.768 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 822' ' ' MET . . . -59.66 -36.28 76.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.812 0.339 . . . . 0.0 111.301 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -63.06 -38.72 92.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.274 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 7.4 mt -70.97 -37.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.519 ' HG ' HG21 ' A' ' 867' ' ' THR . 2.1 tp -55.97 -48.94 74.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.229 176.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.44 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.894 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -63.03 -48.1 80.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.276 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.09 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.429 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.3 m -67.13 -32.47 73.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.815 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.2 m -58.12 -41.76 84.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.03 -42.68 69.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.526 HD22 ' HG ' ' A' ' 863' ' ' LEU . 15.5 tp -58.08 -51.95 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.34 -41.4 91.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.018 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.02 -43.97 97.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.33 98.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.429 HD13 HD23 ' A' ' 781' ' ' LEU . 8.5 mt -66.81 -45.95 86.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.409 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 2.4 mt -68.76 -40.39 79.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.497 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.6 OUTLIER -64.06 -43.4 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.555 177.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -59.15 -45.23 91.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -67.9 -27.35 66.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.827 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.31 83.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 859' ' ' ALA . 3.0 mt -66.52 -38.03 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.526 ' HG ' HD22 ' A' ' 836' ' ' LEU . 0.6 OUTLIER -57.43 -52.91 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 178.3 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.55 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . 0.475 ' CG ' ' HZ1' ' A' ' 869' ' ' LYS . 1.0 OUTLIER -69.55 -51.35 36.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.451 ' HB1' HG23 ' A' ' 774' ' ' VAL . . . -60.32 -41.38 93.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.31 -176.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.519 HG21 ' HG ' ' A' ' 829' ' ' LEU . 8.1 m -64.39 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.461 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -68.51 -42.51 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . 0.475 ' HZ1' ' CG ' ' A' ' 865' ' ' ASP . 8.7 mttt -60.2 -39.64 87.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.707 175.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.602 ' HE3' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -65.26 -52.25 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.864 179.014 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.604 HG13 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -63.1 -37.25 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.739 -178.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.604 ' N ' HG13 ' A' ' 871' ' ' VAL . 1.1 tm-20 -69.59 -37.42 76.93 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -71.23 -44.33 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.73 98.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -37.91 65.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.871 -178.705 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.08 -44.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.271 . . . . 0.0 110.598 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.18 -50.84 59.61 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.652 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.37 86.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.664 0.232 . . . . 0.0 110.816 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.26 92.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 22.8 m -64.18 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.69 92.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.512 HG21 ' HB1' ' A' ' 866' ' ' ALA . 99.3 t -61.11 -48.51 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.434 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.8 m -58.64 -41.6 86.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.198 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -68.76 -42.11 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.786 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 862' ' ' ILE . . . -61.83 -41.62 98.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 0.0 110.296 177.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.46 HD22 ' HG ' ' A' ' 806' ' ' LEU . 7.2 tp -65.51 -45.86 81.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.545 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.29 -38.69 80.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -58.68 -52.01 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.707 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 859' ' ' ALA . 1.1 tp -72.37 -41.16 66.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.578 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.765 0.317 . . . . 0.0 111.529 -177.022 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.603 0.24 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.21 -41.55 99.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.87 -46.15 88.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.514 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 86.1 m -59.8 -47.05 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.59 -50.44 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.544 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.46 ' HG ' HD22 ' A' ' 778' ' ' LEU . 2.9 mt -56.04 -49.3 74.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 57.5 m -58.09 -47.04 84.43 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.111 0.257 . . . . 0.0 110.751 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 829' ' ' LEU . 12.3 t -62.23 -51.93 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.9 m -63.53 -42.47 98.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.049 0.452 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.91 -28.09 67.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.281 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.9 m-20 -64.42 -44.35 91.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 173.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.637 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.5 mt -64.28 -36.09 76.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.519 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.41 -30.06 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.259 0.552 . . . . 0.0 110.092 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 4.2 m -97.76 5.64 48.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.313 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.637 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.1 p -135.26 12.7 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.015 -178.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.582 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 0.4 OUTLIER -64.67 102.16 0.54 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.463 0.649 . . . . 0.0 110.812 -174.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.3 -40.17 1.31 Allowed Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -83.24 108.52 16.52 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.35 97.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.646 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.22 -54.03 37.75 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.352 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.61 -37.41 79.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.939 0.37 . . . . 0.0 110.581 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 10.1 mtp -61.17 -48.45 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.789 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.91 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.079 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.577 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 15.2 ttp180 -55.01 -57.4 11.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.66 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.446 ' O ' HG11 ' A' ' 808' ' ' VAL . 72.0 mm-40 -61.8 -37.68 85.29 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.813 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.85 -33.62 68.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 111.368 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.577 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 4.4 mtt180 -65.84 -46.84 77.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.045 0.45 . . . . 0.0 110.014 177.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 4.3 mt -66.44 -37.32 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.731 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.647 ' HB2' HG13 ' A' ' 808' ' ' VAL . 7.2 tp -56.98 -49.04 76.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.81 96.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.793 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -45.84 84.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.021 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.47 -49.4 69.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.424 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -65.74 -34.47 78.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.43 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.8 m -57.81 -42.37 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.96 0.41 . . . . 0.0 110.364 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . 0.417 ' O ' ' HB1' ' A' ' 839' ' ' ALA . 38.7 t70 -72.82 -38.11 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 29.5 tp -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 860' ' ' ALA . 77.4 t -64.68 -40.82 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.558 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.15 -40.73 96.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.42 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 835' ' ' ASP . . . -61.93 -44.32 97.02 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.333 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.416 HD12 HD21 ' A' ' 781' ' ' LEU . 4.7 mt -63.07 -44.95 99.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.48 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 N--CA 1.441 -0.895 0 CA-C-O 121.202 0.525 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.26 -33.11 72.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.872 -177.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 15.3 m -67.35 -39.65 85.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.714 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.554 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -70.19 -40.63 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.256 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.466 ' O ' HG21 ' A' ' 837' ' ' VAL . . . -62.04 -33.49 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.06 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -60.87 -43.18 98.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.407 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.554 HD13 ' HA ' ' A' ' 859' ' ' ALA . 4.1 mt -64.17 -42.68 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.853 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 777' ' ' ALA . 0.2 OUTLIER -51.95 -54.85 24.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.954 178.343 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -62.02 -47.94 82.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.745 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.93 -45.98 79.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.14 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.512 ' HB1' HG21 ' A' ' 774' ' ' VAL . . . -62.74 -37.39 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.462 HG22 ' HG ' ' A' ' 829' ' ' LEU . 88.4 m -65.21 -36.36 83.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.024 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.419 ' HA ' ' HB ' ' A' ' 871' ' ' VAL . . . -71.64 -32.31 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . 0.407 ' O ' ' HB1' ' A' ' 873' ' ' ALA . 13.7 mttp -63.02 -42.81 99.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.47 75.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 868' ' ' ALA . 2.2 t -54.71 -48.26 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.56 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -40.62 90.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.848 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 869' ' ' LYS . . . -65.55 -45.17 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.408 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.4 88.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -42.22 83.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.617 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.406 179.012 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.501 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . 0.401 HG21 ' HE2' ' A' ' 822' ' ' MET . 2.8 t -67.9 -39.41 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.472 0.177 . . . . 0.0 111.248 -175.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.497 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.83 84.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.54 99.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.416 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.15 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 27.9 m -59.68 -34.7 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.59 81.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 110.708 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.79 -45.58 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.322 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -41.89 81.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 0.0 110.834 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.82 -46.63 71.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.83 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.81 -44.1 82.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -59.88 -40.86 90.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 109.842 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.73 -55.92 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.654 176.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 859' ' ' ALA . 1.3 tp -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.587 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 782' ' ' LEU . 3.9 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.192 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.535 0.207 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.426 HG22 ' HG ' ' A' ' 782' ' ' LEU . 4.0 p -64.01 -40.71 96.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.73 -43.03 80.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.4 m -59.43 -46.42 88.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.677 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.558 HD12 HD22 ' A' ' 836' ' ' LEU . 5.5 mt -61.28 -54.75 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.7 mt -52.04 -49.24 63.83 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.43 0.457 . . . . 0.0 111.118 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.3 m -61.82 -35.85 79.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.82 -47.4 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.565 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.79 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.039 0.447 . . . . 0.0 110.4 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -35.95 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.984 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.213 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.621 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 5.4 mt -65.08 -35.33 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.555 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.85 -27.31 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.439 . . . . 0.0 110.411 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -28.64 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.817 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.621 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.7 p -95.96 13.26 27.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.805 -177.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.693 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 5.9 ttm -64.33 98.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.257 0.551 . . . . 0.0 110.633 -177.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.64 7.31 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.684 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -14.25 59.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.224 0.535 . . . . 0.0 110.606 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 66.96 -72.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.528 -1.215 . . . . 0.0 112.771 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.18 -53.4 43.01 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.677 -0.297 . . . . 0.0 113.108 -174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.57 -36.69 79.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.693 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 6.6 mtp -59.99 -51.48 69.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.393 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.51 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.501 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -57.71 -55.97 27.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -64.61 -35.96 82.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.8 79.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.941 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 12.3 mtp-105 -68.03 -39.85 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.283 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.61 -37.72 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.974 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 829' ' ' LEU . 11.1 tp -57.75 -49.03 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.057 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.479 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -59.91 -39.3 84.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.816 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -44.61 89.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.089 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -68.83 -50.23 51.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.638 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' THR . . . . . 0.492 ' HA ' ' HB3' ' A' ' 836' ' ' LEU . 2.6 m -65.39 -32.09 73.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -176.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.8 m -59.94 -38.19 81.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.181 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -80.16 -36.21 35.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.373 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.558 HD22 HD12 ' A' ' 805' ' ' ILE . 16.6 tp -61.25 -52.2 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.983 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.605 HG11 ' HB2' ' A' ' 860' ' ' ALA . 60.1 t -62.4 -38.08 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.818 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -65.74 -40.23 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.572 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.503 HD13 HD21 ' A' ' 781' ' ' LEU . 0.8 OUTLIER -65.2 -43.97 95.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.944 175.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.485 ' HA ' HD21 ' A' ' 857' ' ' LEU . 21.7 ttpt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.62 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.442 -0.874 0 CA-C-O 121.26 0.553 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 841' ' ' LYS . 1.3 mt -75.56 -24.87 56.72 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.61 -177.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -46.3 68.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 110.264 175.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.561 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -63.41 -40.59 97.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.435 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.605 ' HB2' HG11 ' A' ' 837' ' ' VAL . . . -66.52 -30.94 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.862 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -63.16 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.414 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.561 HD13 ' HA ' ' A' ' 859' ' ' ALA . 4.7 mt -72.2 -40.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.082 175.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.54 ' HG ' HD21 ' A' ' 836' ' ' LEU . 0.2 OUTLIER -53.36 -57.02 12.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.096 178.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.72 98.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.63 -47.72 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.446 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.44 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.029 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.479 HG21 ' HA ' ' A' ' 830' ' ' ALA . 93.9 m -61.8 -39.29 91.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.234 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.56 -39.68 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.275 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -49.22 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -37.81 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.8 OUTLIER -67.84 -48.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.17 90.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.69 72.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.886 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.39 77.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.826 -178.456 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.09 -42.99 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.67 -56.45 24.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.579 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 111.207 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -64.64 -43.5 93.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.96 95.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.857 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 38.0 m -60.39 -43.1 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.555 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' A' ' 866' ' ' ALA . . . -57.44 -44.86 85.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.196 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.74 -48.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.86 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.6 m -59.41 -38.29 80.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -67.54 -47.02 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . 0.471 ' HB1' HD13 ' A' ' 863' ' ' LEU . . . -61.39 -45.43 94.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.427 HD12 HG21 ' A' ' 802' ' ' THR . 7.2 tp -63.96 -43.16 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.25 -44.76 96.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -51.35 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.495 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.55 HD12 HD11 ' A' ' 840' ' ' ILE . 1.3 tp -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.205 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.705 179.468 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.427 HG21 HD12 ' A' ' 778' ' ' LEU . 15.5 p -63.95 -42.98 97.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -178.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.85 -46.44 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.959 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 27.6 m -59.0 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.512 HD13 HD21 ' A' ' 836' ' ' LEU . 3.3 mt -57.1 -57.38 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.823 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -47.08 74.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.28 0.362 . . . . 0.0 111.513 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 13.6 m -59.41 -34.62 72.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.719 0.295 . . . . 0.0 110.845 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 829' ' ' LEU . 40.2 t -74.37 -46.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.174 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.144 0.497 . . . . 0.0 110.022 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -37.09 85.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.834 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.05 -47.51 86.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.645 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.4 mt -66.1 -36.94 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.664 0.268 . . . . 0.0 110.822 -178.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.45 -30.75 68.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.154 0.502 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 2.8 m -88.11 -34.86 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.077 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' SER . . . . . 0.645 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 19.5 p -83.48 -2.25 55.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' MET . . . . . 0.587 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 mtt -47.31 108.21 0.14 Allowed 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.618 0.574 . . . . 0.0 110.585 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.37 -44.73 1.18 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . 0.463 ' OD2' ' HB2' ' A' ' 821' ' ' GLU . 37.7 t70 -87.59 95.53 10.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.71 72.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.439 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.62 -55.52 28.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.669 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.463 ' HB2' ' OD2' ' A' ' 818' ' ' ASP . 6.7 tp10 -64.69 -42.31 95.42 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.651 0.263 . . . . 0.0 110.885 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.587 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 15.2 mtp -56.69 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.007 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 875' ' ' LYS . 80.8 t -69.27 -41.35 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 0.0 110.491 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . 0.448 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.3 OUTLIER -58.24 -54.3 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.499 ' HA ' ' CD1' ' A' ' 828' ' ' ILE . 48.2 mm-40 -64.59 -33.63 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.49 -38.34 74.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.197 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 20.3 mtt-85 -68.0 -38.64 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.284 0.564 . . . . 0.0 110.194 178.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 825' ' ' GLN . 12.2 mt -63.81 -37.91 80.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.921 176.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.512 ' HB2' HG11 ' A' ' 808' ' ' VAL . 3.8 tp -61.12 -49.05 78.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.167 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.622 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -56.84 -45.28 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.284 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.16 -43.43 98.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.041 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.88 -50.04 70.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 1.8 m -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.613 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.8 m -61.56 -38.55 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.529 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -77.11 -39.65 48.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.556 HD23 ' HG ' ' A' ' 863' ' ' LEU . 15.2 tp -59.94 -52.1 66.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 860' ' ' ALA . 48.1 t -62.5 -43.66 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -63.69 -35.87 81.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.072 -178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.43 75.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.55 HD11 HD12 ' A' ' 781' ' ' LEU . 3.1 mt -67.98 -36.79 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.696 ' HE2' HD22 ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.687 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 11.0 mt . . . . . 0 N--CA 1.449 -0.509 0 CA-C-O 121.427 0.632 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.696 HD22 ' HE2' ' A' ' 841' ' ' LYS . 3.0 mt -76.05 -29.28 57.97 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.835 -175.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.457 ' O ' HG13 ' A' ' 862' ' ' ILE . 13.2 m -72.53 -31.95 65.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 174.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.613 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -69.44 -44.05 72.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.882 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.442 ' HB2' HG13 ' A' ' 837' ' ' VAL . . . -61.33 -32.2 72.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.47 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -40.06 87.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.407 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.613 HD11 ' HA ' ' A' ' 859' ' ' ALA . 1.7 mt -73.38 -36.83 49.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.366 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.556 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.4 OUTLIER -52.19 -56.49 14.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.713 178.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.95 80.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.6 -52.44 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.097 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' A' ' 773' ' ' ALA . . . -61.78 -36.52 81.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 830' ' ' ALA . 43.9 m -68.66 -34.25 75.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.246 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.89 79.98 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.193 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -40.48 94.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.633 ' HA ' ' HB2' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -62.59 -52.28 64.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.032 178.092 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -35.4 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.65 -42.38 64.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.43 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.85 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.571 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.245 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.501 ' HG2' HG11 ' A' ' 823' ' ' VAL . 11.7 mtmt -69.96 -39.62 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.586 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.78 -178.709 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.3 t -63.37 -44.56 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.577 0.227 . . . . 0.0 111.109 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.45 -49.66 67.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.42 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.95 90.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.5 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.33 97.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 9.8 m -65.28 -33.89 77.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.486 HG22 ' HG2' ' A' ' 870' ' ' MET . 32.6 t -66.66 -46.38 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 0.0 110.358 176.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 21.7 m -56.05 -40.93 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.115 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -74.07 -42.47 60.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 862' ' ' ILE . . . -60.33 -45.5 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.641 HD13 HG22 ' A' ' 805' ' ' ILE . 2.5 tp -62.67 -39.14 92.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.748 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.88 -51.77 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.016 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.569 HD12 HD13 ' A' ' 840' ' ' ILE . 1.8 tp -64.04 -40.67 96.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.439 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.73 -176.429 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.414 ' HA ' HD11 ' A' ' 805' ' ' ILE . 4.8 p -63.6 -39.78 95.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.11 -41.26 99.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.421 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 24.5 m -59.07 -44.93 91.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.641 HG22 HD13 ' A' ' 778' ' ' LEU . 5.2 mt -58.27 -53.21 49.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.351 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.46 -40.04 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 16.6 m -64.8 -34.23 77.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.712 0.291 . . . . 0.0 110.733 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.521 ' CG1' ' HB2' ' A' ' 829' ' ' LEU . 46.4 t -71.67 -50.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.052 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -42.74 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.426 . . . . 0.0 110.533 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.03 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.305 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . 0.417 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 0.9 OUTLIER -58.4 -50.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.277 176.64 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.516 HG21 ' HG2' ' A' ' 822' ' ' MET . 3.2 mt -59.04 -36.35 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.377 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.698 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.6 m -78.13 -38.29 44.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.023 0.44 . . . . 0.0 110.92 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.5 m -93.37 28.6 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 95.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 138.54 -18.94 3.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.79 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.3 89.99 4.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 174.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.92 71.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.691 -174.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -64.03 -50.54 59.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.317 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.58 -37.45 87.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.55 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.516 ' HG2' HG21 ' A' ' 812' ' ' ILE . 32.6 mtp -63.05 -48.78 77.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 178.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 30.4 t -59.45 -45.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.366 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -47.31 86.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.497 ' HA ' HD13 ' A' ' 828' ' ' ILE . 0.0 OUTLIER -61.23 -46.85 88.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.101 179.097 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.412 ' HB3' HG23 ' A' ' 871' ' ' VAL . . . -60.15 -31.13 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.357 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -71.57 -34.93 70.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.874 0.368 . . . . 0.0 110.351 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.497 HD13 ' HA ' ' A' ' 825' ' ' GLN . 8.1 mt -65.79 -40.48 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 173.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.521 ' HB2' ' CG1' ' A' ' 808' ' ' VAL . 8.7 tp -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.289 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.444 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -56.66 -44.92 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.14 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -63.63 -44.98 92.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . 0.405 ' HB3' HG13 ' A' ' 805' ' ' ILE . . . -64.95 -49.59 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.64 -176.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.4 m -65.21 -36.92 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.8 m -57.92 -38.4 75.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.479 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.56 -46.95 62.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.277 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.552 HD12 HD12 ' A' ' 840' ' ' ILE . 31.4 tp -56.02 -51.9 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.372 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 860' ' ' ALA . 78.6 t -59.94 -37.56 72.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.435 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -66.02 -39.23 90.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.27 86.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.865 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.569 HD13 HD12 ' A' ' 781' ' ' LEU . 3.6 mt -65.74 -38.92 83.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.438 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 840' ' ' ILE . 5.2 mt . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.325 0.583 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -23.75 56.23 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.278 -176.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.486 ' O ' HG13 ' A' ' 862' ' ' ILE . 29.5 m -68.37 -46.19 70.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.31 97.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' A' ' 837' ' ' VAL . . . -60.86 -36.5 79.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 177.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.26 99.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.386 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 858' ' ' SER . 14.9 mt -62.61 -42.66 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.413 177.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.5 OUTLIER -53.13 -50.26 64.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.409 178.249 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.72 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.653 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.96 -46.65 86.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.986 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.02 81.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 830' ' ' ALA . 89.4 m -67.44 -39.36 85.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.28 -42.3 96.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -58.32 -43.41 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.22 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.486 ' HG2' HG22 ' A' ' 774' ' ' VAL . 0.0 OUTLIER -63.43 -49.01 75.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.081 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.551 HG11 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -64.08 -37.99 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.551 ' N ' HG11 ' A' ' 871' ' ' VAL . 0.0 OUTLIER -68.9 -41.71 77.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.669 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.82 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.114 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.064 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -28.21 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.472 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.353 179.714 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.8 -45.87 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.359 0.123 . . . . 0.0 111.256 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.43 60.29 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.589 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.55 74.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.767 0.318 . . . . 0.0 111.056 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.96 95.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.305 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 813' ' ' PHE . . . -63.41 -46.79 84.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.667 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 24.5 m -61.09 -29.99 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.33 83.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.329 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.587 HG23 ' HB2' ' A' ' 866' ' ' ALA . 68.6 t -71.65 -46.38 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 775' ' ' THR . . . . . 0.525 HG21 HD22 ' A' ' 806' ' ' LEU . 0.2 OUTLIER -56.38 -43.05 78.84 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.719 176.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.08 -49.29 70.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.85 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.11 99.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.458 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.694 HD13 HG22 ' A' ' 805' ' ' ILE . 1.3 tp -61.13 -48.08 83.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.7 -34.45 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.7 -54.67 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.207 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . 0.434 HD11 HD11 ' A' ' 840' ' ' ILE . 1.6 tp -62.22 -40.12 95.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.69 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.625 178.164 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 111.457 0.169 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.593 ' HA ' HD12 ' A' ' 778' ' ' LEU . 1.8 p -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.885 0.374 . . . . 0.0 110.297 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -60.07 -50.36 74.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.984 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 62.0 m -59.07 -47.29 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.694 HG22 HD13 ' A' ' 778' ' ' LEU . 22.4 mt -60.31 -55.48 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 0.0 110.679 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.55 ' HB2' HD22 ' A' ' 778' ' ' LEU . 0.3 OUTLIER -55.79 -46.61 77.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.907 -179.318 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 93.6 m -63.3 -43.47 97.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.403 0.144 . . . . 0.0 111.099 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . 0.645 HG12 ' HB2' ' A' ' 829' ' ' LEU . 3.5 t -59.62 -47.34 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.307 . . . . 0.0 110.517 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 809' ' ' THR . . . . . 0.418 ' HA ' HD13 ' A' ' 812' ' ' ILE . 1.4 m -61.6 -41.95 98.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 177.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.11 -33.63 75.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.562 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.06 -40.18 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . 0.575 HG23 ' HE2' ' A' ' 870' ' ' MET . 3.2 mt -63.82 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.959 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 771' ' ' ALA . 6.7 m-85 -60.03 -42.13 93.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.824 177.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -33.9 52.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.929 -178.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.7 m -93.7 24.41 4.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 ttt -69.91 86.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 109.874 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.99 -30.65 0.44 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -98.58 96.94 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.7 74.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.371 -176.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -66.43 -49.1 58.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.873 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.86 -36.38 83.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.421 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.459 ' HG2' HG21 ' A' ' 812' ' ' ILE . 31.0 mtp -62.19 -51.38 68.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.757 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.22 -38.87 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 110.481 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -53.04 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.843 176.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . 0.667 ' HA ' HD13 ' A' ' 828' ' ' ILE . 29.8 mm-40 -73.36 -31.86 64.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -60.21 -36.0 76.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.412 . . . . 0.0 110.584 176.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -67.48 -38.42 84.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . 0.667 HD13 ' HA ' ' A' ' 825' ' ' GLN . 7.1 mt -66.45 -40.65 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 109.721 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.712 ' HG ' HG22 ' A' ' 867' ' ' THR . 14.0 tp -55.93 -48.97 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.601 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.6 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.87 -45.28 82.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.036 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.86 -54.04 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.935 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.61 -40.34 87.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.853 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 7.5 m -69.47 -39.46 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.407 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 44.7 m -60.09 -40.37 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.757 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.2 -36.76 77.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.767 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.12 -51.78 59.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . 0.506 HG12 ' HE3' ' A' ' 841' ' ' LYS . 76.6 t -62.53 -42.85 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -178.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -61.09 -39.97 91.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.18 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 781' ' ' LEU . 12.0 mt -66.54 -41.05 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.681 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 3.1 mtmt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.196 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 121.417 0.627 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.9 mt -75.65 -28.69 58.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.476 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 858' ' ' SER . . . . . 0.549 ' O ' HG13 ' A' ' 862' ' ' ILE . 67.2 m -59.84 -48.2 82.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . 0.529 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -62.64 -41.32 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.604 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . 0.424 ' HB2' HG11 ' A' ' 837' ' ' VAL . . . -62.69 -36.22 82.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.783 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -65.87 -39.45 90.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 858' ' ' SER . 13.5 mt -63.26 -41.82 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -56.07 19.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 177.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.29 98.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.549 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.0 -44.1 85.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . 0.587 ' HB2' HG23 ' A' ' 774' ' ' VAL . . . -64.35 -42.62 96.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.712 HG22 ' HG ' ' A' ' 829' ' ' LEU . 59.1 m -65.55 -33.16 75.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.581 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.29 -41.19 94.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 109.98 174.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -38.67 89.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.854 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.575 ' HE2' HG23 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -64.7 -48.74 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.961 178.385 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -62.59 -37.12 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.124 178.647 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.04 -37.77 66.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.69 -179.361 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.7 -46.8 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.805 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.1 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.999 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -46.95 59.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.277 -175.633 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.729 -0.148 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.02 -41.4 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.543 0.211 . . . . 0.0 111.035 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -55.59 -52.66 46.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.091 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.78 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.804 0.335 . . . . 0.0 111.003 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.98 97.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.221 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 23.8 m -63.42 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.388 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.26 92.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.807 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 774' ' ' VAL . . . . . 0.443 ' CG2' ' HG3' ' A' ' 870' ' ' MET . 78.1 t -63.49 -47.51 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.625 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.8 m -56.46 -41.61 76.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.302 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.7 -42.04 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.295 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.83 97.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 778' ' ' LEU . . . . . 0.45 ' CD2' ' HG ' ' A' ' 806' ' ' LEU . 6.3 tp -62.29 -42.94 99.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.28 178.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.43 -35.79 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -45.54 93.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.459 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' LEU . . . . . . . . . . . . . 1.3 tp -70.91 -44.28 66.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.888 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.102 -178.7 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.678 0.275 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 802' ' ' THR . . . . . 0.444 HG22 ' HG ' ' A' ' 778' ' ' LEU . 1.5 p -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.68 -46.09 90.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 47.2 m -59.35 -46.15 89.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.779 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 805' ' ' ILE . . . . . 0.484 HD13 HD23 ' A' ' 836' ' ' LEU . 4.0 mt -64.34 -57.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.042 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 806' ' ' LEU . . . . . 0.45 ' HG ' ' CD2' ' A' ' 778' ' ' LEU . 1.8 mt -54.79 -44.03 73.39 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.354 0.409 . . . . 0.0 111.701 -175.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 30.0 m -59.4 -36.17 75.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 8.7 t -73.45 -47.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.975 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.11 99.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.399 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -38.91 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.719 175.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.56 -44.87 93.15 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.956 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -58.91 -35.62 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -66.73 -44.33 81.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -32.54 69.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.59 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -96.21 14.45 24.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.992 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 3.5 ttm -59.12 116.94 4.18 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.0 -42.36 1.48 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.88 75.84 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 822' ' ' MET . . . -56.92 -29.74 63.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.644 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -61.83 -48.01 86.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.508 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.7 -39.15 77.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 110.01 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' MET . . . . . 0.522 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 22.7 mtp -56.04 -45.08 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.222 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' VAL . . . . . 0.453 HG12 ' HE2' ' A' ' 875' ' ' LYS . 56.9 t -63.61 -39.88 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.829 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -63.04 -48.16 79.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.054 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -43.03 98.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.087 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' ALA . . . . . 0.71 ' HB3' HG22 ' A' ' 871' ' ' VAL . . . -61.73 -33.34 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.184 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 827' ' ' ARG . 0.0 OUTLIER -65.7 -40.07 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.009 0.433 . . . . 0.0 110.089 177.237 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 6.0 mt -65.96 -39.52 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.985 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' LEU . . . . . 0.617 ' HG ' HG21 ' A' ' 867' ' ' THR . 14.2 tp -57.29 -48.72 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.504 176.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' ALA . . . . . 0.603 ' HA ' HG23 ' A' ' 867' ' ' THR . . . -57.98 -39.99 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -51.66 57.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.912 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.78 86.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.805 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 -36.28 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -63.35 -34.58 78.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.105 0.478 . . . . 0.0 110.181 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.81 -37.37 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.299 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' LEU . . . . . 0.688 HD22 ' HG ' ' A' ' 863' ' ' LEU . 10.3 tp -64.17 -51.67 62.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.077 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 80.5 t -61.93 -40.02 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.191 -176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.47 -32.77 74.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 111.119 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.09 -47.66 76.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.326 177.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' ILE . . . . . 0.407 HD12 ' HG ' ' A' ' 836' ' ' LEU . 4.9 mt -65.93 -33.64 64.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.445 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' LYS . . . . . 0.446 ' HA ' HD23 ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.67 177.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 121.312 0.577 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 857' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 841' ' ' LYS . 4.3 mt -76.02 -25.06 55.35 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.709 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.8 m -64.58 -45.4 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.84 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.34 -35.69 79.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.096 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.07 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.525 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 10.5 mt -64.47 -37.86 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.005 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 863' ' ' LEU . . . . . 0.688 ' HG ' HD22 ' A' ' 836' ' ' LEU . 0.2 OUTLIER -54.27 -55.6 26.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.459 176.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.58 87.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.614 -177.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.47 -50.71 66.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.4 75.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 867' ' ' THR . . . . . 0.617 HG21 ' HG ' ' A' ' 829' ' ' LEU . 58.9 m -65.46 -41.4 93.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 177.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.39 80.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.116 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -39.59 93.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.925 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 870' ' ' MET . . . . . 0.443 ' HG3' ' CG2' ' A' ' 774' ' ' VAL . 0.0 OUTLIER -58.81 -51.59 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.459 176.611 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 871' ' ' VAL . . . . . 0.71 HG22 ' HB3' ' A' ' 826' ' ' ALA . 0.5 OUTLIER -62.05 -39.64 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.923 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 872' ' ' GLU . . . . . 0.515 ' N ' HG12 ' A' ' 871' ' ' VAL . 3.6 tt0 -70.45 -47.56 60.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -177.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.63 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.601 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 874' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 870' ' ' MET . . . -64.24 -38.88 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.973 0.416 . . . . 0.0 110.835 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 875' ' ' LYS . . . . . 0.453 ' HE2' HG12 ' A' ' 823' ' ' VAL . 17.9 mttm -75.62 -28.08 58.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.941 177.745 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' SER . . . . . 0.834 ' HA ' ' HB2' ' A' ' 818' ' ' ASP . 0.9 OUTLIER -87.51 138.31 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.914 0.387 . . . . 0.0 110.836 -178.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -81.5 -100.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.77 72.25 0.26 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -106.74 -102.56 0.34 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.012 -174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -113.92 144.38 43.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.973 0.416 . . . . 0.0 111.426 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -113.75 101.63 9.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.002 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -66.7 110.37 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.157 0.503 . . . . 0.0 110.972 -178.252 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . 0.42 ' H ' ' HG2' ' A' ' 759' ' ' GLU . 0.0 OUTLIER -65.33 -36.12 83.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.704 -176.463 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.98 1.79 51.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.23 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 71.01 29.1 69.41 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.984 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . 0.544 ' HB2' HG23 ' A' ' 758' ' ' THR . 0.0 OUTLIER -58.29 -29.28 65.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.706 0.253 . . . . 0.0 111.651 179.334 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.62 -37.63 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.009 0.433 . . . . 0.0 110.588 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -90.85 -39.12 12.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.791 0.329 . . . . 0.0 110.449 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -59.81 -41.33 91.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.183 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -92.91 -66.98 1.09 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.408 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . 0.418 HG23 ' HE3' ' A' ' 822' ' ' MET . 2.2 t -67.32 -46.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -174.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -55.8 -46.4 83.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.398 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.1 80.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 111.369 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -64.26 -43.47 94.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.968 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . 0.495 ' HB1' ' CE2' ' A' ' 813' ' ' PHE . . . -63.35 -44.0 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.545 178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 78.2 m -57.35 -39.88 76.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.159 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.88 77.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.784 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.494 HG23 ' HB2' ' A' ' 866' ' ' ALA . 45.9 t -70.23 -48.72 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.821 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.12 71.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.055 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -70.05 -51.82 28.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.734 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . 0.413 ' HB2' HG23 ' A' ' 862' ' ' ILE . . . -57.47 -41.89 81.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.193 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.635 HD21 ' HB2' ' A' ' 806' ' ' LEU . 1.2 tp -58.86 -48.24 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -67.23 -39.22 86.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.562 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.44 -53.2 61.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.267 0.556 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.694 HD13 HD11 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -65.81 -41.31 92.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.067 -178.556 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.411 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.8 mt -55.56 -54.69 40.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -67.85 -28.88 67.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.747 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 77.7 t60 -71.1 -43.72 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.802 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.483 HG21 ' HG ' ' A' ' 781' ' ' LEU . 78.2 t -73.97 -44.81 50.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.589 0.233 . . . . 0.0 110.622 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -8.24 24.15 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.936 -175.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -118.63 12.32 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.921 0.391 . . . . 0.0 110.901 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 12.3 m-70 -146.07 -165.64 2.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.164 -176.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.425 ' HA ' ' CD ' ' A' ' 847' ' ' GLU . . . 68.73 166.91 0.27 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 124.005 0.816 . . . . 0.0 111.411 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 2.9 m -102.39 113.6 27.07 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.131 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -65.47 90.23 0.12 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.714 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -141.85 72.3 1.38 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.155 0.502 . . . . 0.0 109.994 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 94.02 -132.51 11.22 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.49 54.58 4.41 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.209 2.606 . . . . 0.0 111.783 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -148.86 135.32 19.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.732 -177.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 107.57 -25.78 20.22 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.479 -177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -172.03 146.04 1.91 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.21 58.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.83 -43.45 85.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.295 -169.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -63.94 -40.94 97.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.081 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.15 77.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.597 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.518 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.1 p -67.62 -39.98 84.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.8 -43.43 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.791 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 48.4 m -63.16 -41.0 99.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.445 ' HB ' HD12 ' A' ' 778' ' ' LEU . 64.4 mt -64.0 -58.56 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.635 ' HB2' HD21 ' A' ' 778' ' ' LEU . 1.3 tt -50.62 -45.31 57.5 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.471 0.482 . . . . 0.0 111.442 -177.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.5 m -57.9 -37.97 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.494 HG11 ' HB3' ' A' ' 825' ' ' GLN . 3.9 t -68.78 -49.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -42.91 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.45 -31.11 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.51 -38.07 89.72 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.1 0.476 . . . . 0.0 110.313 176.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.444 ' O ' HG23 ' A' ' 812' ' ' ILE . 3.9 mt -65.21 -34.62 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.025 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.495 ' CE2' ' HB1' ' A' ' 771' ' ' ALA . 15.4 m-85 -62.23 -43.15 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.318 176.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -34.58 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.2 m -102.17 28.49 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.42 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.67 96.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 129.8 -9.44 6.07 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.517 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . 0.834 ' HB2' ' HA ' ' A' ' 752' ' ' SER . 24.9 t70 -81.78 -21.23 37.89 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.167 0.508 . . . . 0.0 110.796 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.0 -65.82 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.008 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.62 -51.92 55.7 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.844 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.15 -32.22 71.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.919 0.39 . . . . 0.0 110.692 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.418 ' HE3' HG23 ' A' ' 767' ' ' VAL . 45.9 mtp -64.49 -51.44 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.522 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 56.5 t -63.78 -38.42 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 3.9 tpt180 -57.36 -54.33 48.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.677 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.494 ' HB3' HG11 ' A' ' 808' ' ' VAL . 44.8 mm-40 -64.86 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.18 74.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -70.36 -32.55 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.592 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.9 mt -72.6 -39.71 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.68 ' HG ' HG23 ' A' ' 867' ' ' THR . 9.5 tp -53.41 -48.93 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.681 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -56.78 -43.48 80.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.28 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.734 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . 0.443 ' HB3' HG12 ' A' ' 805' ' ' ILE . . . -62.94 -49.53 74.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.875 -176.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -66.5 -40.18 89.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.2 m -62.0 -35.61 79.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -41.48 75.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.334 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.467 ' HG ' HD13 ' A' ' 840' ' ' ILE . 28.1 tp -60.75 -51.85 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.486 177.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.427 HG22 ' HB2' ' A' ' 864' ' ' ALA . 79.8 t -59.58 -42.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.976 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.65 -38.48 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.074 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.89 93.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 781' ' ' LEU . 9.2 mt -62.62 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.724 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.438 ' HA ' HD23 ' A' ' 857' ' ' LEU . 8.2 tttm -56.73 -39.87 74.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.868 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.05 -40.53 53.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -58.18 -48.58 79.86 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.305 0.574 . . . . 0.0 110.625 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.21 -21.17 66.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.237 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.81 -34.64 75.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.966 0.412 . . . . 0.0 110.777 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -120.03 38.15 2.86 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.295 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.425 ' CD ' ' HA ' ' A' ' 789' ' ' ALA . 0.1 OUTLIER -85.67 151.52 23.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.869 0.366 . . . . 0.0 110.57 179.213 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 6.0 m -83.42 -22.02 32.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.603 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 8.7 t70 -110.8 103.14 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 175.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.44 ' HA ' ' OG ' ' A' ' 853' ' ' SER . 1.2 mt -73.67 -11.38 60.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.83 -174.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 49.1 tp10 -78.56 -47.17 17.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.603 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 4.3 t30 -59.96 -41.43 91.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.794 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 31.3 p -61.8 -39.8 93.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.221 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -46.52 87.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.083 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 12.3 mmtt -55.99 -43.87 78.06 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.543 0.687 . . . . 0.0 110.132 174.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.538 ' HB2' ' O ' ' A' ' 853' ' ' SER . 10.2 mt -52.44 -49.73 64.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.822 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 841' ' ' LYS . 1.8 mt -75.78 -22.65 56.2 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.312 -176.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 5.8 m -72.06 -46.22 57.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.514 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.658 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -61.34 -32.78 72.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . 0.527 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 0.0 OUTLIER -62.05 -49.88 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.065 176.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 859' ' ' ALA . 3.8 mt -58.98 -39.69 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.23 -57.02 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . 0.427 ' HB2' HG22 ' A' ' 837' ' ' VAL . . . -71.4 -38.0 71.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.318 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.4 OUTLIER -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.156 -178.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.494 ' HB2' HG23 ' A' ' 774' ' ' VAL . . . -70.11 -32.33 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.777 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.68 HG23 ' HG ' ' A' ' 829' ' ' LEU . 79.7 m -65.13 -39.89 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.66 -39.84 95.35 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.384 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -33.64 74.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 177.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.412 ' HA ' ' HB2' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -67.66 -49.0 65.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 178.171 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -31.38 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.41 0.624 . . . . 0.0 109.877 176.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 27.4 tt0 -66.53 -49.24 67.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.388 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.39 -43.14 74.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.592 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.09 79.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.238 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -77.09 -41.77 40.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.99 -35.28 89.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.144 -0.55 . . . . 0.0 113.05 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -101.66 28.95 5.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 111.249 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -84.26 49.69 1.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.977 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 56.56 -105.23 0.26 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.084 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -116.21 105.05 51.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.4 50.64 3.24 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 123.102 2.535 . . . . 0.0 113.628 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -91.09 79.94 5.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.56 -16.63 13.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.112 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -126.19 43.66 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.721 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 53.89 67.47 1.0 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.707 0.629 . . . . 0.0 110.499 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -80.28 67.41 6.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.564 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.58 69.07 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.523 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -78.84 144.41 35.05 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.116 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.77 79.02 4.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.111 0.482 . . . . 0.0 110.495 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.14 81.51 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.959 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 83.65 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.275 0.559 . . . . 0.0 111.592 -175.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -134.27 32.82 3.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.742 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . 0.459 ' HB3' ' H ' ' A' ' 757' ' ' ALA . . . 64.15 -91.56 0.03 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.372 -176.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . 0.459 ' H ' ' HB3' ' A' ' 756' ' ' ALA . . . -145.91 25.55 1.28 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.422 0.629 . . . . 0.0 109.751 175.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.72 HG23 ' HB3' ' A' ' 764' ' ' LEU . 0.0 OUTLIER -112.93 93.94 4.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.806 -176.1 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.99 -14.75 17.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.387 176.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -132.32 170.34 15.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.513 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 88.6 102.2 0.98 Allowed Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.624 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -37.16 80.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.961 0.41 . . . . 0.0 110.597 -178.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 877' ' ' ALA . 1.0 OUTLIER -60.13 -53.9 52.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.599 179.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . 0.72 ' HB3' HG23 ' A' ' 758' ' ' THR . 0.8 OUTLIER -73.53 -31.97 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.569 -176.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -65.78 -49.69 67.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -75.98 -58.33 3.77 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.575 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.64 -40.63 62.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.601 0.239 . . . . 0.0 111.396 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.91 -47.33 90.79 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.587 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.93 86.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.65 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.645 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.77 -46.16 89.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.774 178.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.9 m -61.35 -29.16 69.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.91 93.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.46 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.64 -43.26 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.333 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.55 -45.28 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.995 177.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -68.94 -44.85 72.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.077 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.43 97.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.244 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 806' ' ' LEU . 1.0 OUTLIER -63.4 -45.65 90.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.421 178.241 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -60.7 -41.61 95.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.391 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.59 -48.69 80.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.01 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.68 -45.21 83.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.613 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.73 -43.54 94.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 110.657 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.9 -42.03 98.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.47 0.652 . . . . 0.0 110.176 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.438 ' HE2' ' HG ' ' A' ' 856' ' ' LEU . 57.6 t60 -68.33 -44.44 75.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.625 -177.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 58.4 t -72.65 -23.62 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.333 0.587 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -66.33 -15.47 63.28 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.954 -0.466 . . . . 0.0 111.931 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -123.19 -11.91 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -140.14 163.63 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 65.28 -84.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.347 0.404 . . . . 0.0 110.222 -175.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' THR . . . . . 0.83 ' HA ' ' HA ' ' A' ' 795' ' ' ALA . 2.1 m -78.51 84.83 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.383 0.611 . . . . 0.0 110.149 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 128.84 9.37 3.5 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.472 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -151.45 -53.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.457 . . . . 0.0 110.518 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -103.66 -128.33 6.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.033 -0.604 . . . . 0.0 112.552 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.65 -21.14 29.76 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.889 2.392 . . . . 0.0 112.948 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.83 ' HA ' ' HA ' ' A' ' 790' ' ' THR . . . 58.19 65.1 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.223 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -75.05 158.27 50.91 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -113.77 114.37 26.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 117.374 0.587 . . . . 0.0 111.369 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -131.77 29.47 4.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.195 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -71.53 -31.88 67.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.067 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -77.41 -38.23 50.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.043 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.38 94.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.643 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -42.88 95.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.127 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.08 -44.42 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.972 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 90.9 m -59.09 -45.35 91.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.526 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.455 ' CD1' HD22 ' A' ' 836' ' ' LEU . 34.6 mt -56.96 -58.0 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.709 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.725 ' HB2' HD21 ' A' ' 778' ' ' LEU . 8.4 tp -59.95 -33.33 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.698 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.8 m -64.59 -42.61 95.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.406 HG11 ' HB2' ' A' ' 829' ' ' LEU . 19.1 t -64.15 -43.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.805 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -40.3 95.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.264 178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.73 -42.27 99.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.371 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.19 -42.26 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.403 ' O ' HG21 ' A' ' 812' ' ' ILE . 3.2 mt -62.17 -39.2 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 178.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.44 -45.37 91.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.065 0.459 . . . . 0.0 110.416 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -45.34 71.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.259 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.2 19.98 3.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.7 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.412 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.0 OUTLIER -60.91 105.84 0.51 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.246 0.546 . . . . 0.0 110.055 177.556 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.34 -38.45 1.8 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -175.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.72 86.05 7.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -54.67 -37.75 66.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.88 -176.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.15 60.63 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.44 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.412 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 23.6 mtp -59.5 -49.98 75.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.9 -39.46 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.356 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -57.67 -52.6 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.477 ' HA ' HD13 ' A' ' 828' ' ' ILE . 45.3 mm-40 -62.54 -41.68 99.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.699 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.99 71.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.82 0.343 . . . . 0.0 111.405 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.46 -42.62 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.449 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.477 HD13 ' HA ' ' A' ' 825' ' ' GLN . 5.3 mt -66.89 -36.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 176.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.551 ' HG ' HG23 ' A' ' 867' ' ' THR . 12.8 tp -57.72 -49.05 77.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.291 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.473 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -61.41 -34.25 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.072 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.62 -49.58 31.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.19 86.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.677 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -64.83 -35.22 80.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.53 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.6 m -62.57 -41.22 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 110.436 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -38.87 84.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.132 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.621 HD21 ' HG ' ' A' ' 863' ' ' LEU . 35.9 tp -62.45 -51.61 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.823 178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -41.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.25 -44.83 95.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.658 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.11 87.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 3.6 mt -69.19 -40.0 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.672 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.68 -40.38 75.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.605 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.32 45.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.292 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -46.89 69.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.698 -175.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.68 -24.59 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.629 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.61 69.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.029 0.443 . . . . 0.0 110.659 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -88.05 -5.1 77.42 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.993 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.475 ' HG2' ' ND2' ' A' ' 852' ' ' ASN . 8.5 tp10 -75.4 128.72 35.99 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.36 -27.76 61.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.66 -177.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -77.06 96.89 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -41.5 98.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.453 -177.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.584 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.5 OUTLIER -62.45 -49.67 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.428 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.475 ' ND2' ' HG2' ' A' ' 847' ' ' GLU . 0.7 OUTLIER -63.8 -35.35 80.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.449 178.258 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 16.2 t -57.58 -47.42 82.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.748 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -42.9 95.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.584 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 31.9 mmtt -59.93 -41.65 92.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.463 0.649 . . . . 0.0 109.955 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.438 ' HG ' ' HE2' ' A' ' 784' ' ' HIS . 5.9 mt -59.04 -49.86 76.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.494 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 1.1 mt -75.84 -25.85 56.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.205 -177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.451 ' O ' HG13 ' A' ' 862' ' ' ILE . 68.4 m -70.21 -42.25 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.586 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -65.39 -43.29 91.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 176.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.35 72.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.757 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -33.64 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 859' ' ' ALA . 10.5 mt -71.51 -37.81 65.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.621 ' HG ' HD21 ' A' ' 836' ' ' LEU . 0.4 OUTLIER -53.76 -53.67 48.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 176.597 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.48 90.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.031 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.55 -56.66 18.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.957 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.9 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.551 HG23 ' HG ' ' A' ' 829' ' ' LEU . 85.6 m -64.74 -42.91 94.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.11 -38.24 90.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.534 177.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -40.6 95.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.791 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -48.46 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.072 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.51 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.1 mm-40 -75.93 -36.08 59.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.32 -49.4 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.19 93.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -69.72 -39.76 76.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.68 -32.89 70.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' ' 763' ' ' LEU . . . -87.74 -0.64 57.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.903 0.382 . . . . 0.0 111.272 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -70.91 112.81 7.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.939 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -70.54 -70.56 0.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.017 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -143.38 84.61 10.05 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.605 0.717 . . . . 0.0 109.825 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.422 ' HG3' ' HB1' ' A' ' 878' ' ' ALA . 94.8 Cg_endo -104.92 -175.47 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.961 3.107 . . . . 0.0 112.886 175.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 24.6 t0 73.91 -43.39 0.54 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.802 0.841 . . . . 0.0 113.165 170.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -46.12 87.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.908 -178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 54.0 50.69 16.16 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.427 0.632 . . . . 0.0 109.717 -175.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.29 -145.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.967 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.13 12.82 5.88 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.571 0.748 . . . . 0.0 111.165 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -178.66 86.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.807 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -95.62 -24.82 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.209 0.528 . . . . 0.0 109.903 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.994 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -72.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.921 0.391 . . . . 0.0 110.581 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -161.74 61.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.83 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -156.73 110.21 2.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 60.71 57.22 2.75 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.292 172.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.94 72.94 4.79 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -83.77 170.01 14.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.68 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.91 69.91 5.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.579 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -84.12 60.69 6.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.871 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.63 126.71 49.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.637 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 160.29 168.73 22.64 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.58 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' A' ' 762' ' ' GLN . 2.1 tp60 -89.25 49.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.318 0.58 . . . . 0.0 110.051 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.94 -65.0 0.73 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.561 -173.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.77 -22.67 34.21 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.107 -176.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 765' ' ' ARG . 0.0 OUTLIER -71.46 -50.92 26.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.384 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -87.97 -57.0 1.97 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.485 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 5.8 t -64.02 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.49 0.186 . . . . 0.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -59.06 -47.5 90.49 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.498 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.07 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.427 ' HB2' ' SD ' ' A' ' 870' ' ' MET . . . -69.58 -47.91 61.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.74 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 95.5 m -59.4 -40.13 85.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.894 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.12 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.485 HG21 ' HB1' ' A' ' 866' ' ' ALA . 22.1 t -61.11 -47.16 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.4 m -56.89 -43.68 81.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.54 -27.14 45.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.66 77.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.86 -44.24 93.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.271 175.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -57.84 -45.25 86.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.353 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -58.78 -45.83 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.637 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.545 HD23 HD12 ' A' ' 840' ' ' ILE . 1.2 tp -62.39 -49.52 75.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.586 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 786' ' ' LYS . 18.7 mt -57.52 -46.24 84.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -46.33 87.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.595 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.558 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 34.7 t60 -67.04 -44.96 78.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.4 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 781' ' ' LEU . 90.5 t -68.89 -43.93 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 111.015 -177.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -56.5 -36.61 69.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.747 -176.27 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -105.0 22.95 14.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.558 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 2.8 m-70 -143.99 -11.14 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.367 0.876 . . . . 0.0 113.367 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -59.13 146.57 38.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.422 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 1.8 m -108.01 121.15 44.21 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.496 -0.481 . . . . 0.0 112.097 -176.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 64.25 -148.6 51.04 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.484 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -111.36 -0.36 16.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.997 0.427 . . . . 0.0 110.141 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -76.94 -87.73 0.35 Allowed Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.01 64.33 5.1 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.589 2.192 . . . . 0.0 111.496 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -125.42 25.56 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.562 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -66.53 118.78 11.28 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.578 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 797' ' ' ARG . 0.0 OUTLIER -89.18 -2.72 58.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.519 0.2 . . . . 0.0 110.819 -178.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.554 ' CE2' HG12 ' A' ' 840' ' ' ILE . 7.1 m-85 52.43 44.87 29.48 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.32 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -63.19 -46.94 84.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.25 -171.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -44.48 95.78 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.79 -178.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -62.56 -50.19 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.9 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 12.8 p -64.0 -38.77 92.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.97 -48.2 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.65 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' THR . . . . . 0.552 HG23 ' HB1' ' A' ' 832' ' ' ALA . 23.6 m -59.15 -45.82 89.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.427 HD12 HD23 ' A' ' 836' ' ' LEU . 2.8 mt -60.58 -52.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.678 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.71 -52.78 63.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.068 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.7 m -58.02 -43.66 86.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.313 0.383 . . . . 0.0 110.784 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.526 HG12 ' HB2' ' A' ' 829' ' ' LEU . 2.2 t -65.43 -50.29 73.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.067 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.708 ' HA ' HD11 ' A' ' 812' ' ' ILE . 3.1 m -66.39 -39.19 88.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.774 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.13 -29.75 69.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.981 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -68.4 -33.55 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 809' ' ' THR . 4.0 mt -66.05 -32.36 57.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 0.0 110.574 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -66.13 -29.11 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -36.85 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.623 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 25.2 p -77.95 -5.89 52.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.451 -177.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.508 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.0 mtt -50.09 112.38 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.281 0.562 . . . . 0.0 110.667 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.9 -34.9 2.87 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -104.59 95.12 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.633 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -57.18 -38.57 73.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.87 -175.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.88 -50.37 66.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.91 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -68.81 -35.97 77.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.508 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 24.3 mtp -61.19 -45.73 93.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.4 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.149 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.07 20.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.454 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -63.46 -41.17 98.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.116 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.498 ' HB1' HG22 ' A' ' 871' ' ' VAL . . . -57.49 -37.28 72.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 827' ' ' ARG . 8.8 mtp180 -64.72 -43.16 94.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.659 177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 5.9 mt -68.25 -33.9 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.476 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.526 ' HB2' HG12 ' A' ' 808' ' ' VAL . 8.4 tp -57.54 -48.79 78.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.107 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.9 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.557 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -43.23 89.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.014 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . 0.552 ' HB1' HG23 ' A' ' 804' ' ' THR . . . -67.01 -47.68 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.586 -177.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.9 m -64.93 -35.91 82.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 46.2 m -63.89 -27.91 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.292 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.06 -46.07 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.256 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.588 HD22 ' HG ' ' A' ' 863' ' ' LEU . 19.5 tp -58.67 -51.8 68.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.289 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.81 -40.68 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.87 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -67.63 -37.82 83.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.828 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.94 67.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.554 HG12 ' CE2' ' A' ' 798' ' ' TYR . 18.6 mt -64.3 -39.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.761 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.427 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 21.2 tttt -56.85 -49.24 76.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.94 72.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.258 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -40.59 83.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.003 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 840' ' ' ILE . . . -69.17 -23.91 63.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -76.58 56.4 1.12 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.442 0.639 . . . . 0.0 110.331 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 148.42 37.85 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.795 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 162.99 18.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 0.0 110.203 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -91.13 -17.76 25.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -114.44 97.37 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.051 170.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.659 ' HA ' ' HG ' ' A' ' 853' ' ' SER . 58.8 mt -77.72 -8.58 58.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.902 0.382 . . . . 0.0 110.81 -175.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -49.21 14.14 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.605 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 18.2 t30 -59.39 -46.08 89.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.104 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.659 ' HG ' ' HA ' ' A' ' 850' ' ' LEU . 2.9 p -57.89 -40.46 80.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.042 -178.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 850' ' ' LEU . 7.8 mtp180 -61.41 -40.02 92.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.913 0.387 . . . . 0.0 110.394 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.432 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 0.5 OUTLIER -71.34 -32.79 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.056 179.011 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 87.6 mt -57.86 -41.71 83.0 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.617 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.427 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 7.4 mt -75.41 -29.23 59.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.545 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.8 -35.62 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.408 . . . . 0.0 110.384 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.628 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -69.24 -41.21 77.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.273 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.56 -28.34 69.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.923 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -44.48 96.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.628 HD11 ' HA ' ' A' ' 859' ' ' ALA . 0.6 OUTLIER -66.37 -36.96 78.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.164 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.588 ' HG ' HD22 ' A' ' 836' ' ' LEU . 0.7 OUTLIER -54.95 -51.86 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.223 177.387 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.8 82.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.299 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.57 -46.95 87.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.379 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.485 ' HB1' HG21 ' A' ' 774' ' ' VAL . . . -64.22 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.793 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.448 HG22 ' HG ' ' A' ' 829' ' ' LEU . 93.5 m -64.42 -39.98 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.865 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.25 -39.61 95.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.223 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.68 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.31 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.47 ' HG2' HG23 ' A' ' 774' ' ' VAL . 0.0 OUTLIER -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.773 178.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.498 HG22 ' HB1' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -62.23 -36.56 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.233 178.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 3.7 tt0 -66.64 -45.46 78.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.586 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.18 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.507 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.83 98.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -74.58 -34.85 62.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.59 -45.38 77.43 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.348 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -73.72 -7.61 52.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 111.23 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.633 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -86.5 -16.31 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.353 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -132.44 -45.86 0.9 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -176.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 881' ' ' PRO . 0.1 OUTLIER -95.13 126.79 45.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.725 0.297 . . . . 0.0 111.429 -175.049 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 880' ' ' HIS . 4.8 Cg_exo -75.39 166.71 28.18 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.144 2.563 . . . . 0.0 111.475 173.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -79.56 -19.56 49.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.219 0.533 . . . . 0.0 109.605 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.8 m -48.78 135.32 15.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.084 176.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.5 79.02 9.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.081 -174.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.523 ' HB3' ' H ' ' A' ' 886' ' ' GLN . 1.8 tm-20 59.35 -113.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.927 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.523 ' H ' ' HB3' ' A' ' 885' ' ' GLU . 0.4 OUTLIER 60.0 39.25 20.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.356 0.598 . . . . 0.0 110.787 -178.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.78 33.5 2.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.86 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -87.72 86.48 7.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.756 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.298 -0.858 . . . . 0.0 109.906 177.311 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -36.44 82.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.961 0.41 . . . . 0.0 111.553 -176.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -108.27 3.76 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.359 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 2.5 ttt -163.76 114.92 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.108 0.48 . . . . 0.0 111.457 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.47 9.25 10.87 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 69.95 -67.93 0.22 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.782 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -173.64 -141.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.293 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.71 144.77 31.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 66.79 39.56 3.44 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.607 0.567 . . . . 0.0 110.934 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.3 158.2 19.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.624 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 68.82 -163.93 49.75 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.331 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.48 34.38 3.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.799 0.333 . . . . 0.0 110.782 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 763' ' ' LEU . 0.8 OUTLIER -59.52 -64.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.975 -178.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.14 -31.77 17.82 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.621 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 -63.02 -42.44 99.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.008 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -98.22 -66.51 0.88 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.325 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.48 -51.37 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -53.75 -49.66 57.21 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.746 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.45 82.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.261 . . . . 0.0 111.433 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.39 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.131 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.21 99.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.016 0.436 . . . . 0.0 110.657 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 16.9 m -63.54 -37.45 87.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.461 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.46 98.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 866' ' ' ALA . 87.2 t -62.06 -46.72 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.482 177.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 8.0 m -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.085 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.82 -41.85 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.02 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . 0.453 ' HB3' HG22 ' A' ' 862' ' ' ILE . . . -60.41 -46.57 89.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.809 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 6.3 tp -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.541 178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.62 -43.42 89.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.529 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -52.31 66.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.687 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.572 HD12 HD13 ' A' ' 840' ' ' ILE . 1.5 tp -62.83 -38.18 89.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.3 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.15 -52.42 65.38 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.084 0.24 . . . . 0.0 111.48 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -62.67 -42.49 99.65 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.243 0.544 . . . . 0.0 110.058 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.768 ' HE2' ' HG ' ' A' ' 856' ' ' LEU . 79.2 t60 -62.62 -48.35 79.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.178 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.502 HG22 ' HG ' ' A' ' 781' ' ' LEU . 18.9 t -65.09 -44.45 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.284 -176.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -59.47 -24.66 63.77 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -107.84 -25.07 11.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.787 0.327 . . . . 0.0 111.312 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -139.38 109.7 6.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.589 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -164.81 -67.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.07 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.13 50.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.528 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 67.69 50.12 44.75 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 59.52 -120.31 1.01 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.701 0.4 . . . . 0.0 110.281 -173.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 60.93 -137.86 48.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.334 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.5 -8.07 17.05 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.688 2.259 . . . . 0.0 112.023 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 56.11 54.85 7.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.662 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 55.97 -140.81 41.07 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.161 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.9 ttp-105 -154.81 91.81 1.41 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.617 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 798' ' ' TYR . 0.0 OUTLIER -110.09 13.02 23.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.442 -176.225 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -57.63 -50.02 74.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.341 -173.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -71.4 -35.84 71.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 -176.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.23 -52.03 60.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.775 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 23.2 p -66.49 -38.25 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.468 . . . . 0.0 110.584 -178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.81 -45.54 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.991 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 89.4 m -61.33 -47.8 84.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.452 HD13 HD23 ' A' ' 836' ' ' LEU . 5.5 mt -59.87 -56.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.099 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.19 -52.55 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.253 -178.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 20.9 m -57.91 -42.97 85.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.221 0.326 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.501 HG13 ' HB2' ' A' ' 829' ' ' LEU . 2.1 t -65.08 -51.62 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.18 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.32 -41.33 98.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 110.792 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 22.1 tp10 -66.44 -29.67 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.202 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 27.7 m-20 -64.88 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.581 177.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.429 HG22 ' HG2' ' A' ' 822' ' ' MET . 4.1 mt -62.53 -33.34 59.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.655 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.417 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 41.7 m-85 -66.27 -37.4 85.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.547 177.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.32 -32.54 55.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.48 19.83 18.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.391 -176.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.569 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 ttm -64.77 98.86 0.29 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.36 -29.74 2.14 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -92.23 106.18 18.24 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.434 ' HB3' ' C ' ' A' ' 878' ' ' ALA . . . -57.93 -47.52 82.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.638 -176.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -65.24 -45.59 90.61 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.569 -175.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.6 tp10 -66.35 -43.08 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.492 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.569 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 12.5 mtp -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.18 -38.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.192 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -56.42 -54.87 40.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 821' ' ' GLU . 69.9 mm-40 -62.35 -42.19 99.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.54 70.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.98 -45.69 76.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.2 -33.26 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.469 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.501 ' HB2' HG13 ' A' ' 808' ' ' VAL . 5.8 tp -60.07 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.328 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.494 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -60.54 -38.27 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.661 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -64.99 -49.34 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.83 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.92 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.104 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.0 m -65.17 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 56.2 m -61.31 -40.95 96.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.58 -40.67 69.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.737 HD22 ' HG ' ' A' ' 863' ' ' LEU . 34.5 tp -59.15 -51.73 68.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 79.3 t -65.84 -36.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.581 -177.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -61.29 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.7 89.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.587 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.572 HD13 HD12 ' A' ' 781' ' ' LEU . 10.8 mt -61.69 -41.69 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.434 ' HA ' HD22 ' A' ' 857' ' ' LEU . 0.1 OUTLIER -56.7 -50.03 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.552 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.63 87.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -45.96 83.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.364 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 847' ' ' GLU . . . -68.01 -33.07 73.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.302 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -65.7 -37.47 86.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -89.01 14.79 59.6 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.62 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 844' ' ' ALA . 1.7 mm-40 -78.87 171.97 14.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.881 0.372 . . . . 0.0 110.266 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.25 -34.5 8.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.749 -176.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -97.73 141.9 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.791 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.493 ' O ' ' HD3' ' A' ' 854' ' ' ARG . 0.7 OUTLIER -75.19 -47.81 26.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.972 -178.413 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.38 -46.98 88.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -59.67 -41.83 91.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.652 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 20.5 t -59.78 -50.49 73.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.238 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' A' ' 850' ' ' LEU . 1.6 mtp85 -57.64 -45.54 85.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.442 ' HB3' ' CE1' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.4 -43.78 71.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.65 0.738 . . . . 0.0 111.031 176.156 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.768 ' HG ' ' HE2' ' A' ' 784' ' ' HIS . 3.5 mt -64.5 -49.77 70.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.664 -175.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 841' ' ' LYS . 2.2 mt -75.72 -25.5 56.66 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.872 -174.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 862' ' ' ILE . 46.5 m -72.0 -41.12 67.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 175.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.619 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -63.8 -42.14 97.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.183 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.438 ' HB3' HD11 ' A' ' 840' ' ' ILE . . . -64.79 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.94 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -63.23 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.15 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.619 HD13 ' HA ' ' A' ' 859' ' ' ALA . 4.2 mt -63.5 -41.98 94.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.119 176.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.737 ' HG ' HD22 ' A' ' 836' ' ' LEU . 0.2 OUTLIER -53.36 -56.79 13.87 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.914 177.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.75 -47.22 78.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.555 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.05 -45.34 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.459 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.6 ' HB3' HG21 ' A' ' 774' ' ' VAL . . . -62.3 -34.16 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.447 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 830' ' ' ALA . 95.0 m -66.19 -43.6 86.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.01 -40.56 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 110.39 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . 0.428 ' O ' ' HB1' ' A' ' 873' ' ' ALA . 10.2 mptt -64.43 -35.04 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.195 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.417 ' HG2' HG23 ' A' ' 774' ' ' VAL . 0.0 OUTLIER -67.58 -48.95 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.687 177.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -61.99 -39.04 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.406 . . . . 0.0 110.244 178.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.553 ' N ' HG12 ' A' ' 871' ' ' VAL . 0.9 OUTLIER -68.6 -37.3 79.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.704 179.692 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 869' ' ' LYS . . . -71.2 -51.0 27.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.25 89.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -73.7 -25.6 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.047 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -88.43 -13.92 62.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -122.23 22.44 10.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.075 0.464 . . . . 0.0 110.801 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.434 ' C ' ' HB3' ' A' ' 819' ' ' ALA . . . -81.97 58.7 4.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.337 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 48.24 -125.4 1.84 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.4 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -128.96 150.9 76.53 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.92 54.52 2.12 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.903 2.402 . . . . 0.0 112.558 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.55 12.28 29.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.842 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.97 135.13 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.302 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.99 87.59 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.13 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.04 121.46 26.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.548 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -139.79 33.25 1.99 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 55.22 -116.31 1.03 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.718 -171.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -153.56 47.26 0.66 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.672 0.749 . . . . 0.0 109.658 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.666 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.7 40.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.671 0.272 . . . . 0.0 111.042 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . 0.602 ' O ' ' HB1' ' A' ' 757' ' ' ALA . 0.1 OUTLIER 56.62 74.6 0.39 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.108 -176.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -30.84 70.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.188 177.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.15 131.03 55.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.036 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 60.53 42.77 13.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.765 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 753' ' ' HIS . . . -77.7 149.51 34.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.983 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.83 -6.66 12.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.235 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -81.28 56.86 3.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.237 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.43 124.16 48.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.46 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -138.84 -150.5 5.59 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.438 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -32.84 5.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.802 0.334 . . . . 0.0 110.542 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.414 HD21 ' HB1' ' A' ' 877' ' ' ALA . 0.6 OUTLIER -60.39 -57.66 11.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.489 -176.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.48 -37.31 23.3 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.263 -176.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -66.77 -47.54 71.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.251 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -83.76 -63.37 1.69 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.603 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.46 -43.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.51 0.195 . . . . 0.0 111.234 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.07 -48.01 85.55 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.678 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.52 -40.11 85.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.719 0.295 . . . . 0.0 111.07 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -67.84 -45.03 75.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -179.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.25 82.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 14.8 m -63.85 -32.11 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.009 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . 0.43 ' O ' ' HB3' ' A' ' 777' ' ' ALA . . . -60.72 -44.56 96.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.461 177.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.424 ' HB ' HG23 ' A' ' 809' ' ' THR . 48.9 t -63.99 -41.09 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.3 m -59.26 -48.85 80.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -67.75 -42.06 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 780' ' ' GLU . . . -63.14 -41.14 99.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.576 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.481 ' CD2' ' HG ' ' A' ' 806' ' ' LEU . 1.1 tp -64.49 -45.43 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.769 0.319 . . . . 0.0 110.388 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.47 -33.59 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 777' ' ' ALA . 10.0 mm-40 -58.93 -53.01 63.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.999 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.58 -46.99 83.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.16 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.4 mt -55.64 -57.69 10.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.711 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -62.4 -29.9 70.82 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 110.717 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.636 ' HE2' ' HA ' ' A' ' 856' ' ' LEU . 1.6 t60 -73.73 -44.13 57.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.886 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.17 -38.22 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 111.025 -175.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -31.24 71.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.206 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -98.89 -25.3 14.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.83 0.348 . . . . 0.0 111.745 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -125.5 87.32 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -112.48 179.46 3.98 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.864 -173.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' THR . . . . . 0.411 HG21 ' HB2' ' A' ' 847' ' ' GLU . 0.5 OUTLIER -127.07 39.48 3.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.48 178.702 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -173.83 -163.65 27.66 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.481 -178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -71.27 -36.17 71.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.0 0.428 . . . . 0.0 110.723 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -105.73 -141.19 10.44 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.931 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -87.04 64.49 4.35 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.289 2.659 . . . . 0.0 111.986 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 53.59 53.17 11.93 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.378 179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 78.59 -112.89 3.56 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -169.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.74 140.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.385 171.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.87 31.67 4.18 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.86 -45.77 85.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.746 -173.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -37.53 83.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.33 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.17 70.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.224 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 1.1 p -61.67 -37.19 83.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.261 0.553 . . . . 0.0 110.056 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.88 -46.01 91.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.667 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 12.0 m -59.25 -45.61 90.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.995 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 1.4 mt -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.252 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.481 ' HG ' ' CD2' ' A' ' 778' ' ' LEU . 5.4 mt -58.17 -46.23 86.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.887 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.8 m -58.0 -48.34 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.284 . . . . 0.0 110.767 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.548 HG12 ' HB2' ' A' ' 829' ' ' LEU . 17.1 t -62.37 -53.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.396 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.586 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.1 m -61.27 -37.14 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 5.1 tt0 -68.59 -33.95 74.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.275 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.01 -30.99 72.02 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.763 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.612 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 4.2 mt -69.51 -26.85 32.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.407 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 51.1 m-85 -70.42 -34.53 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.196 0.522 . . . . 0.0 109.865 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -32.2 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.857 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.612 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 54.6 p -90.87 -7.44 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.568 -176.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.637 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.1 ttt -53.13 114.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 111.054 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.26 -25.0 6.44 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.0 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -107.79 98.39 7.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.598 ' HB1' ' HA ' ' A' ' 878' ' ' ALA . . . -53.52 -43.76 68.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.976 -176.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.73 -50.89 60.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.127 -0.558 . . . . 0.0 113.344 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.457 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 5.4 tp10 -70.76 -40.02 72.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.913 0.356 . . . . 0.0 110.914 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.637 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 19.3 mtp -57.72 -44.31 85.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.74 -40.79 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.457 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.0 OUTLIER -58.35 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.734 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -63.02 -41.6 99.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -57.13 -37.03 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -64.26 -43.52 94.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.528 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 6.2 mt -66.65 -38.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.379 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.728 ' HG ' HG22 ' A' ' 867' ' ' THR . 6.2 tp -57.52 -49.02 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.534 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.05 -38.5 76.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.256 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -71.65 -49.27 41.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.77 80.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.82 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 9.4 m -62.58 -38.16 89.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -41.09 87.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.587 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.676 HD23 ' HG ' ' A' ' 863' ' ' LEU . 12.1 tp -60.55 -51.67 68.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.144 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 94.9 t -61.83 -43.16 96.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.932 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -63.57 -38.51 91.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.01 -49.31 77.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.886 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 7.2 mt -65.41 -42.38 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.685 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.467 ' HA ' HD22 ' A' ' 857' ' ' LEU . 9.4 tttm -58.14 -45.2 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.823 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' ' 845' ' ' GLU . . . -69.51 -33.24 72.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.718 -178.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.86 -36.79 62.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.039 0.447 . . . . 0.0 110.382 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -68.78 -19.38 64.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.672 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 842' ' ' ALA . 25.1 mt-10 -70.74 94.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 174.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 94.34 58.56 1.21 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -172.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.411 ' HB2' HG21 ' A' ' 790' ' ' THR . 2.0 pm0 -90.79 162.55 14.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.163 -0.518 . . . . 0.0 111.612 -171.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -70.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.27 175.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -113.7 135.43 53.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.094 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -13.24 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.646 ' O ' ' HD2' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -69.68 -37.54 76.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 176.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.576 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 69.9 m-20 -70.59 -46.61 63.13 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.036 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.485 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 56.3 p -59.4 -45.28 91.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.631 -173.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -59.34 -44.79 92.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.614 0.245 . . . . 0.0 110.859 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.646 ' HD2' ' O ' ' A' ' 851' ' ' GLU . 6.0 mttp -65.42 -38.96 91.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.422 0.629 . . . . 0.0 109.956 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.636 ' HA ' ' HE2' ' A' ' 784' ' ' HIS . 15.8 mt -58.92 -49.92 76.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.396 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 841' ' ' LYS . 4.3 mt -75.77 -26.22 57.17 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.02 -176.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 862' ' ' ILE . 42.5 m -75.12 -41.53 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.423 177.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.574 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -64.77 -42.43 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 177.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.78 -32.11 73.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 177.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -63.66 -41.14 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.693 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.574 HD11 ' HA ' ' A' ' 859' ' ' ALA . 9.4 mt -64.42 -37.66 80.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.224 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.676 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.5 OUTLIER -53.87 -54.57 36.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.467 177.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.54 79.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.222 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.71 -46.39 87.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.96 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.728 HG22 ' HG ' ' A' ' 829' ' ' LEU . 77.9 m -65.53 -39.11 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.203 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.17 98.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.6 81.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.21 177.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.591 ' HE2' HD11 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -63.99 -49.37 72.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 176.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.491 HG22 ' HE3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -65.12 -33.51 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.474 178.806 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.54 -44.96 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.531 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.33 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.307 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . 0.482 ' O ' ' HB3' ' A' ' 878' ' ' ALA . . . -59.74 -40.34 87.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.491 ' HE3' HG22 ' A' ' 871' ' ' VAL . 30.7 mttt -73.06 -37.63 66.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.943 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.49 -33.16 71.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.39 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.414 ' HB1' HD21 ' A' ' 763' ' ' LEU . . . -90.46 2.66 55.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.975 0.417 . . . . 0.0 110.879 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.598 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -93.19 2.14 56.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -119.1 127.03 52.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.556 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.85 98.0 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.343 0 O-C-N 123.864 0.728 . . . . 0.0 111.672 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -74.93 80.97 2.29 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.911 2.408 . . . . 0.0 111.408 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -92.71 -17.51 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.216 0.531 . . . . 0.0 110.197 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.05 160.76 30.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.555 -176.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.87 114.55 7.29 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 173.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.98 3.37 46.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.137 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -104.48 162.14 13.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.105 0.478 . . . . 0.0 110.504 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -85.69 55.08 3.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.649 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.15 37.3 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.585 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.347 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -45.97 72.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.971 0.415 . . . . 0.0 110.788 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -115.8 -26.23 7.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.994 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.11 127.14 31.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.003 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . 0.503 HE21 ' HB2' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -77.43 -175.7 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.076 -178.717 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -123.09 123.5 40.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.207 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -101.6 143.18 31.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.32 124.04 26.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.554 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.83 168.32 9.51 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.714 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -132.38 -4.41 3.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.539 0.685 . . . . 0.0 109.721 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 89.58 43.36 5.21 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . 0.585 ' HB2' ' H ' ' A' ' 766' ' ' GLY . 8.8 pt20 -78.32 61.04 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.304 0.574 . . . . 0.0 111.323 -176.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.55 -51.85 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.749 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.52 -22.59 21.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.201 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.518 ' HB3' ' HB2' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -78.63 -66.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.183 -178.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . 0.585 ' H ' ' HB2' ' A' ' 762' ' ' GLN . . . -69.48 -56.93 7.88 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.31 -176.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.93 -40.54 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.527 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.55 65.59 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.4 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.61 95.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.555 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -65.25 -47.94 75.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.364 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 813' ' ' PHE . . . -61.44 -42.39 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 50.3 m -62.66 -40.61 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.445 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.36 95.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.45 -49.94 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.9 m -58.44 -40.06 81.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.902 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -70.6 -45.95 64.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.59 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.11 0.481 . . . . 0.0 110.671 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.637 HD12 HG22 ' A' ' 805' ' ' ILE . 5.0 tp -63.16 -44.31 95.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.426 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.1 -37.64 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.95 -47.29 85.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.25 0.548 . . . . 0.0 110.358 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.543 HD13 ' HB3' ' A' ' 859' ' ' ALA . 0.9 OUTLIER -67.63 -39.12 84.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.404 177.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.0 -53.9 51.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.472 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -59.18 -44.42 92.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.252 0.548 . . . . 0.0 110.192 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.57 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 58.6 t60 -64.21 -46.66 82.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.389 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.493 HG22 ' HG ' ' A' ' 781' ' ' LEU . 42.2 t -66.22 -44.32 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.61 0.243 . . . . 0.0 111.208 -177.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -55.56 -36.49 66.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.975 -176.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -109.35 8.24 25.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.57 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 84.1 m-70 -142.37 61.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 0.0 110.874 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -133.31 111.95 11.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.243 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.7 165.72 17.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.594 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 77.11 -99.71 1.44 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.794 174.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -78.56 59.66 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . 0.449 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . 95.37 129.65 5.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.248 174.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.449 ' HD3' ' HA2' ' A' ' 793' ' ' GLY . 10.3 Cg_exo -71.24 -19.21 29.66 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.992 2.461 . . . . 0.0 111.533 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -160.19 -167.42 1.93 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.417 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 63.41 29.59 75.02 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.115 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.449 ' HB3' ' CE1' ' A' ' 798' ' ' TYR . 2.8 mtp180 -99.22 -54.06 3.07 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -135.35 24.32 3.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.039 0.447 . . . . 0.0 109.797 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -64.87 -33.99 77.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.849 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -39.45 51.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 836' ' ' LEU . . . -62.03 -48.02 82.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.116 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.602 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.201 0.524 . . . . 0.0 110.565 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.03 -50.29 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.891 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.0 m -61.16 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.499 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.637 HG22 HD12 ' A' ' 778' ' ' LEU . 6.5 mt -58.54 -51.41 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.589 0.233 . . . . 0.0 111.05 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -51.4 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.9 m -61.2 -42.2 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.403 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.523 HG13 ' HB2' ' A' ' 829' ' ' LEU . 12.2 t -62.23 -52.16 63.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.74 0.305 . . . . 0.0 110.987 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.701 ' HA ' HD13 ' A' ' 812' ' ' ILE . 1.2 m -63.02 -39.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -40.36 86.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.294 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -63.45 -37.84 88.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.701 HD13 ' HA ' ' A' ' 809' ' ' THR . 5.2 mt -61.06 -38.39 79.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 110.408 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 771' ' ' ALA . 30.5 m-85 -62.54 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 178.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -28.9 64.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.543 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -103.98 22.66 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.413 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.9 ttm -63.09 102.37 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 136.27 -33.41 2.37 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -176.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -87.76 87.33 7.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -53.35 -42.86 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.896 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.95 -44.7 96.92 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.578 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.04 -40.95 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.386 . . . . 0.0 110.545 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 22.8 mtp -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.11 -41.24 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.362 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -54.74 40.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.54 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -63.84 -40.54 96.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.662 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.476 ' HB3' HG21 ' A' ' 871' ' ' VAL . . . -59.54 -40.81 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -62.82 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.396 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 16.7 mt -67.5 -42.97 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.64 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.9 tp -54.76 -48.82 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.149 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.85 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.88 -43.79 78.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.5 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.634 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.32 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.3 m -59.62 -38.2 80.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.11 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -42.78 78.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.32 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 801' ' ' ALA . 24.9 tp -61.16 -52.16 66.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 87.8 t -63.61 -43.66 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.032 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.736 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.53 69.23 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.522 HD11 HD12 ' A' ' 781' ' ' LEU . 47.8 mt -61.68 -45.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.167 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.515 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER -54.9 -49.95 69.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 -179.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.07 -40.28 68.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.403 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -73.0 -45.7 56.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.731 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.486 ' HB1' HD13 ' A' ' 856' ' ' LEU . . . -64.79 -28.43 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.604 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.472 ' CD ' ' HZ2' ' A' ' 841' ' ' LYS . 23.5 mt-10 -67.04 -18.08 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.381 . . . . 0.0 110.909 178.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -107.46 -0.75 35.01 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.931 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.13 133.73 48.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.02 0.438 . . . . 0.0 110.306 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -44.2 90.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.517 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 852' ' ' ASN . 4.3 t70 -86.25 100.37 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.515 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.59 -25.88 65.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.501 -174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.413 ' O ' ' HD2' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -64.26 -40.65 96.42 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.475 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.577 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 74.8 m-20 -58.69 -55.94 28.65 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.915 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.474 ' HA ' HD13 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -57.52 -45.54 84.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.103 -175.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.34 -38.99 69.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 110.67 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.413 ' HD2' ' O ' ' A' ' 851' ' ' GLU . 3.5 mttt -77.25 -37.69 52.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.093 177.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 76.0 mt -58.52 -49.73 76.32 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.121 0.486 . . . . 0.0 111.119 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.5 mt -69.62 -30.26 67.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.996 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.1 m -72.04 -42.51 66.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.59 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.614 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.69 -39.29 93.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.369 176.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.91 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.247 176.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.614 HD12 ' HA ' ' A' ' 859' ' ' ALA . 6.4 mt -68.15 -42.17 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.816 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.477 ' HA ' HD11 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -52.48 -54.62 29.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.666 177.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.49 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.221 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.8 75.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.123 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.64 HG23 ' HG ' ' A' ' 829' ' ' LEU . 91.6 m -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.347 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.1 94.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -59.23 -41.89 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.971 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.555 ' HA ' ' HB3' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -61.71 -50.91 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.91 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -64.43 -36.82 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.642 -178.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.489 ' N ' HG13 ' A' ' 871' ' ' VAL . 1.0 OUTLIER -71.73 -39.7 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.628 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.16 -48.53 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.093 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.54 94.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.236 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -69.59 -37.98 77.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.71 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.31 -34.67 88.66 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.462 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -82.96 -6.14 59.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 0.0 110.73 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -100.2 52.59 0.9 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.951 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -88.22 -42.54 12.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . 0.665 ' HD2' ' HB2' ' A' ' 882' ' ' ASP . 3.9 p-80 -157.69 142.59 12.06 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.419 175.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 880' ' ' HIS . 7.3 Cg_exo -73.01 67.5 4.06 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.159 2.573 . . . . 0.0 112.222 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.665 ' HB2' ' HD2' ' A' ' 880' ' ' HIS . 3.0 t0 -90.56 50.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.414 0.626 . . . . 0.0 110.421 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 884' ' ' GLU . 0.1 OUTLIER -89.89 -155.3 0.36 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.584 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . 0.472 ' HB2' ' O ' ' A' ' 883' ' ' SER . 1.7 mp0 75.92 -70.97 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.538 0.735 . . . . 0.0 111.734 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.495 ' HB3' ' H ' ' A' ' 886' ' ' GLN . 4.3 tm-20 57.2 -103.31 0.18 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.08 -174.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.495 ' H ' ' HB3' ' A' ' 885' ' ' GLU . 2.1 tt0 -155.58 -65.67 0.12 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.549 175.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -179.83 104.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.997 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -72.58 -34.17 67.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.18 0.514 . . . . 0.0 109.714 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.236 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.69 134.48 54.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 0.0 110.636 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -139.21 54.21 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.23 0.538 . . . . 0.0 110.024 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 7.7 ttt -148.08 85.07 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.088 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -96.74 -161.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.458 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -67.52 -40.57 85.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.123 0.487 . . . . 0.0 110.152 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -86.09 75.52 9.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.998 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -42.33 98.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.199 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.2 159.73 28.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.438 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.97 133.64 47.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.459 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 150.51 -147.5 17.67 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.624 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -39.89 69.32 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.369 0.268 . . . . 0.0 111.436 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.64 -41.99 98.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.979 0.419 . . . . 0.0 111.118 -177.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 6.9 tp -85.41 -17.47 36.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.942 0.401 . . . . 0.0 110.813 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -48.09 81.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.314 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -98.2 -65.4 0.87 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 5.1 t -57.23 -49.22 80.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.561 0.219 . . . . 0.0 111.335 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.86 -48.89 75.0 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.732 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.81 80.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.667 0.27 . . . . 0.0 111.196 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -65.07 -41.64 94.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.291 -178.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.72 95.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 110.608 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -38.37 90.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.599 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.1 93.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.935 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.571 HG22 ' HB1' ' A' ' 866' ' ' ALA . 60.2 t -64.33 -46.91 91.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 110.426 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.4 m -58.33 -40.79 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.928 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -44.78 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.48 89.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.604 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.471 HD11 HG22 ' A' ' 802' ' ' THR . 5.4 tp -64.14 -48.33 76.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.516 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . 0.52 ' O ' ' HG3' ' A' ' 783' ' ' GLN . 7.4 m-80 -60.13 -40.56 90.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.62 -55.42 35.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.478 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.52 HD21 HD11 ' A' ' 840' ' ' ILE . 0.8 OUTLIER -61.64 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.45 ' HG ' HG23 ' A' ' 802' ' ' THR . 1.7 mt -51.79 -56.65 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -177.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' ' 779' ' ' ASN . 31.0 mt-30 -61.78 -38.95 89.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.765 -178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -66.08 -43.3 87.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.19 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 71.1 t -73.31 -38.8 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.921 -178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.1 -16.94 63.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.577 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -99.63 3.44 45.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 110.846 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.437 ' HB3' ' H ' ' A' ' 789' ' ' ALA . 75.3 m-70 -147.62 -132.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.437 ' H ' ' HB3' ' A' ' 788' ' ' HIS . . . 73.69 171.98 0.3 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.326 0.65 . . . . 0.0 112.499 172.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' THR . . . . . 0.569 HG23 ' HA ' ' A' ' 847' ' ' GLU . 0.0 OUTLIER -122.29 61.96 0.97 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.216 177.265 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -94.82 151.91 20.29 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.174 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -79.67 -26.3 41.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.503 . . . . 0.0 109.789 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -99.84 172.37 24.65 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.269 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.82 85.08 1.53 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.145 2.563 . . . . 0.0 111.367 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.546 ' O ' ' HD3' ' A' ' 797' ' ' ARG . . . 66.03 20.95 11.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.545 -178.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -85.36 85.06 1.57 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 173.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.546 ' HD3' ' O ' ' A' ' 795' ' ' ALA . 0.0 OUTLIER -104.51 -76.44 0.6 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.667 0.27 . . . . 0.0 111.475 -171.098 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 52.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -40.19 77.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.266 -174.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.39 -44.32 83.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.806 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.81 71.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.471 HG22 HD11 ' A' ' 778' ' ' LEU . 0.7 OUTLIER -63.34 -42.33 98.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -177.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.74 -48.09 83.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.787 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 32.4 m -60.11 -47.53 85.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 6.1 mt -57.97 -53.14 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.742 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.38 -52.76 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.181 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.6 m -57.93 -42.81 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.121 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.541 HG12 ' HB2' ' A' ' 829' ' ' LEU . 10.1 t -68.54 -48.38 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.326 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.681 ' HA ' HD11 ' A' ' 812' ' ' ILE . 2.1 m -65.36 -39.57 92.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.063 0.459 . . . . 0.0 110.72 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -30.71 70.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 176.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.8 -34.58 78.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.945 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -66.21 -29.89 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.597 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.34 -39.46 93.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.12 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -27.33 53.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.647 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 23.7 p -94.15 -1.2 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.528 -176.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.492 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.7 ttm -59.62 101.19 0.1 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.247 0.546 . . . . 0.0 110.453 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 140.67 -40.35 1.38 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -100.07 85.56 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.629 ' HA ' ' HB2' ' A' ' 822' ' ' MET . . . -62.26 -25.59 67.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.927 -173.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.81 98.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.495 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.409 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 18.8 tp10 -72.52 -34.18 67.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.629 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 32.1 mtp -59.94 -51.26 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.99 -37.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.299 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.472 ' HD3' HD12 ' A' ' 828' ' ' ILE . 0.4 OUTLIER -57.88 -52.57 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.135 175.576 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.703 ' HA ' HD11 ' A' ' 828' ' ' ILE . 53.8 mm-40 -63.06 -42.25 99.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.458 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.414 ' HB3' HG21 ' A' ' 871' ' ' VAL . . . -56.69 -37.6 71.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.021 178.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -42.49 99.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.466 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.703 HD11 ' HA ' ' A' ' 825' ' ' GLN . 4.2 mt -66.77 -40.43 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.174 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.541 ' HB2' HG12 ' A' ' 808' ' ' VAL . 11.5 tp -56.84 -48.94 76.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.188 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.63 -44.17 80.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -68.33 -41.13 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.1 86.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.334 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.1 m -66.14 -33.34 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.184 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -43.4 91.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.8 -46.32 82.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.394 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.434 ' HG ' HD13 ' A' ' 840' ' ' ILE . 56.3 tp -61.65 -52.02 66.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.758 -177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.525 HG13 ' HB2' ' A' ' 860' ' ' ALA . 86.0 t -66.22 -37.42 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.653 0.263 . . . . 0.0 110.971 -175.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -70.16 -35.69 74.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.06 95.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.52 HD11 HD21 ' A' ' 781' ' ' LEU . 14.0 mt -65.77 -41.41 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.59 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -56.24 -50.64 70.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.99 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.86 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.07 -47.77 60.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.443 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.469 ' HB2' HD12 ' A' ' 856' ' ' LEU . . . -61.77 -37.15 83.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.776 -177.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.34 -29.43 70.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -106.52 16.2 41.19 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.186 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.569 ' HA ' HG23 ' A' ' 790' ' ' THR . 0.0 OUTLIER -80.23 154.64 27.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.12 -46.05 17.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.025 -177.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -87.7 93.77 9.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.134 0.493 . . . . 0.0 109.82 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -9.25 48.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.874 -173.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -41.28 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.863 0.364 . . . . 0.0 110.282 172.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.772 ' HA ' ' HD3' ' A' ' 855' ' ' LYS . 16.7 t30 -68.73 -37.39 79.41 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.709 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.493 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 13.3 p -58.69 -38.62 78.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.578 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 854' ' ' ARG . 1.8 mmt-85 -61.71 -43.12 99.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.772 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 0.8 OUTLIER -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.363 177.373 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 93.5 mt -58.7 -49.55 77.18 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.397 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 853' ' ' SER . 8.3 mt -71.31 -31.09 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.044 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.7 m -64.0 -39.55 94.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.525 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -72.16 -40.95 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 177.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.525 ' HB2' HG13 ' A' ' 837' ' ' VAL . . . -63.4 -27.61 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.83 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.83 99.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.202 176.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 859' ' ' ALA . 2.8 mt -66.83 -41.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.865 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.407 ' HG ' HD22 ' A' ' 836' ' ' LEU . 0.4 OUTLIER -52.52 -53.8 41.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.404 176.723 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.666 -177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.38 -45.77 91.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.96 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.571 ' HB1' HG22 ' A' ' 774' ' ' VAL . . . -61.76 -38.3 87.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.435 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 82.1 m -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.53 -46.49 85.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -43.43 92.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.115 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.494 ' HA ' ' HB3' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -61.53 -52.17 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.818 178.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -62.6 -38.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.164 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.9 mm-40 -74.88 -33.47 62.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.981 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.44 -44.14 68.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.826 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -69.67 -42.39 74.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.29 -41.63 94.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.9 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -90.25 35.97 0.87 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.953 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.525 ' HA ' ' CB ' ' A' ' 819' ' ' ALA . . . -84.87 172.01 11.74 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.678 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.93 90.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.502 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 94.26 39.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.574 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.65 -40.97 4.84 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.644 2.229 . . . . 0.0 111.131 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.01 -71.13 0.11 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.133 -176.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.5 161.14 30.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.443 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.8 63.08 4.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.288 0.566 . . . . 0.0 109.549 173.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 123.44 23.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.85 -172.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -128.11 41.89 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.286 175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.41 53.49 1.66 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.204 -176.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.32 66.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.439 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.498 -178.704 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 112.156 -0.378 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.3 m -78.42 89.99 4.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.328 0.585 . . . . 0.0 110.701 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -148.26 57.59 1.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.514 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.61 91.76 3.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.66 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.69 -168.75 2.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.095 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -76.11 132.81 40.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.289 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.68 106.22 8.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.955 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.42 163.9 25.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -87.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 176.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 19.4 t0 177.17 -176.15 0.14 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -108.77 92.49 0.72 Allowed Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.3 44.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.161 0.505 . . . . 0.0 110.803 -177.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.451 ' HA ' HD11 ' A' ' 763' ' ' LEU . 0.8 OUTLIER -69.76 -64.91 0.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.102 -175.449 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 3.7 mt -80.26 -18.0 50.61 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.046 -176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -71.21 -55.42 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.475 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -86.17 -65.54 1.42 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.416 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . 0.578 ' HB ' ' HE1' ' A' ' 816' ' ' MET . 1.6 t -62.92 -40.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.662 0.268 . . . . 0.0 110.79 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.16 -47.54 86.82 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.545 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.83 75.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.313 . . . . 0.0 110.849 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.47 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -62.77 -44.72 95.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.7 m -63.94 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.306 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 866' ' ' ALA . 33.2 t -65.13 -43.77 95.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.214 176.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' THR . . . . . 0.505 HG21 HD22 ' A' ' 806' ' ' LEU . 2.5 m -55.8 -45.28 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.743 178.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . 0.53 ' O ' ' HG2' ' A' ' 780' ' ' GLU . 3.5 mm100 -66.39 -50.12 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.931 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.9 83.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.498 ' HG ' HG22 ' A' ' 802' ' ' THR . 3.9 tp -64.25 -41.89 96.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.48 -41.01 93.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 70.2 mm-40 -63.24 -45.8 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.655 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.649 HD12 HD23 ' A' ' 863' ' ' LEU . 4.2 tp -61.35 -40.52 94.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.095 -175.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 7.0 mt -59.77 -45.87 90.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.134 -177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -68.5 -37.85 80.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.201 0.524 . . . . 0.0 109.93 176.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -49.52 74.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.358 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.419 ' O ' ' HB2' ' A' ' 789' ' ' ALA . 94.0 t -73.3 -41.75 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.589 -175.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.61 -32.31 64.0 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -105.62 -7.85 18.28 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -172.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -134.27 43.06 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.866 -175.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 785' ' ' VAL . . . -129.15 -172.93 2.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.673 0.273 . . . . 0.0 110.56 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.02 -12.97 48.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.839 0.352 . . . . 0.0 111.033 177.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 78.3 -74.58 2.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.205 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -100.82 117.52 35.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.761 0.315 . . . . 0.0 110.635 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 123.73 -123.08 5.11 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.062 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.25 53.69 4.62 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.912 2.408 . . . . 0.0 112.236 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -153.97 84.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.36 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -87.39 138.25 15.19 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.807 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.09 107.79 19.34 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.528 -0.395 . . . . 0.0 110.001 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.09 47.85 1.56 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.49 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -42.57 95.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.631 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.74 -41.8 91.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.483 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -61.41 -46.81 88.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.498 HG22 ' HG ' ' A' ' 778' ' ' LEU . 0.9 OUTLIER -62.86 -40.58 97.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 0.0 110.32 178.222 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.46 -42.22 95.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.723 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 20.9 m -59.46 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.619 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 3.3 mt -57.71 -52.06 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.856 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.505 HD22 HG21 ' A' ' 775' ' ' THR . 1.9 mt -54.05 -47.99 71.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.5 m -61.13 -40.13 92.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.4 -47.54 83.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.664 ' HA ' HD13 ' A' ' 812' ' ' ILE . 1.8 m -62.35 -42.11 99.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 0.0 110.615 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.53 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.293 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.563 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 3.9 m-20 -61.79 -43.74 98.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.273 175.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.664 HD13 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -61.07 -42.13 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -59.77 -38.17 81.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.153 0.501 . . . . 0.0 110.509 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 6.5 m -83.65 -1.82 54.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.409 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.7 m -127.76 26.27 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.953 0.406 . . . . 0.0 110.549 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.578 ' HE1' ' HB ' ' A' ' 767' ' ' VAL . 3.6 mmt -63.69 108.85 1.52 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.757 -178.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.3 -10.24 22.27 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.123 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.28 -31.82 58.47 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.145 0.498 . . . . 0.0 110.564 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.58 -62.61 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.754 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.31 -49.98 72.65 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.403 -0.427 . . . . 0.0 112.966 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.518 ' OE1' ' HD2' ' A' ' 824' ' ' ARG . 6.5 tp10 -64.99 -34.79 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.052 0.453 . . . . 0.0 110.221 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.466 ' HB3' ' HE3' ' A' ' 822' ' ' MET . 51.1 mtp -62.85 -47.36 83.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.23 -39.7 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.263 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.645 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 0.1 OUTLIER -55.37 -51.44 66.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.309 175.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.658 ' HA ' HD11 ' A' ' 828' ' ' ILE . 55.5 mm-40 -64.79 -39.49 93.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' A' ' 871' ' ' VAL . . . -58.86 -33.53 70.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.645 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 11.3 mtt180 -64.11 -46.46 84.11 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.126 175.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.658 HD11 ' HA ' ' A' ' 825' ' ' GLN . 3.1 mt -63.24 -43.19 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.273 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.429 ' HG ' HG23 ' A' ' 867' ' ' THR . 13.3 tp -58.37 -48.93 79.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.5 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.85 83.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -60.89 -49.14 78.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.141 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.86 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.722 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 8.8 m -66.29 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.0 m -59.8 -42.12 92.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.091 0.472 . . . . 0.0 109.978 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.87 -42.63 66.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.244 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.69 -51.81 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.129 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 64.4 t -61.58 -42.74 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.772 -178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.63 -36.95 85.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.79 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 781' ' ' LEU . 4.7 mt -63.4 -35.99 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.449 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.5 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER -55.47 -48.49 74.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 178.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.68 62.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.392 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -75.26 -46.48 33.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.917 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.46 -18.54 65.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -70.25 -18.33 63.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.343 175.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -102.88 3.67 48.98 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.364 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.36 144.16 48.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -33.14 66.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.532 -174.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.591 ' HB3' ' OD1' ' A' ' 852' ' ' ASN . 39.1 t0 -111.92 141.77 45.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.22 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.79 ' HA ' ' HG ' ' A' ' 853' ' ' SER . 0.4 OUTLIER -89.27 -21.47 23.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.756 -173.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.658 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.4 OUTLIER -63.22 -49.88 72.42 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.947 -178.159 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.591 ' OD1' ' HB3' ' A' ' 849' ' ' ASP . 7.1 p-10 -73.73 -33.56 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.751 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.79 ' HG ' ' HA ' ' A' ' 850' ' ' LEU . 77.0 p -67.23 -38.63 85.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -60.92 -46.42 90.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.47 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 13.3 mmtt -56.74 -40.83 76.46 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.656 0.741 . . . . 0.0 110.254 176.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 853' ' ' SER . 5.1 mt -56.17 -49.58 73.59 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.343 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.2 mt -75.87 -22.69 55.92 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.138 -177.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 862' ' ' ILE . 11.8 m -67.29 -36.33 81.32 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 173.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -72.14 -38.54 69.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.197 175.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.34 -33.78 75.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.512 176.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -64.04 -39.54 94.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.39 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 858' ' ' SER . 9.7 mt -66.92 -40.42 85.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.993 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.649 HD23 HD12 ' A' ' 781' ' ' LEU . 0.3 OUTLIER -52.72 -53.35 49.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 176.493 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.02 83.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.344 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.29 -48.65 80.83 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.248 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.474 ' HB3' HG23 ' A' ' 774' ' ' VAL . . . -66.43 -38.85 88.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.879 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.429 HG23 ' HG ' ' A' ' 829' ' ' LEU . 86.2 m -66.15 -38.28 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.935 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.51 -43.15 91.02 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.199 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . 0.468 ' O ' ' HB1' ' A' ' 873' ' ' ALA . 0.0 OUTLIER -65.34 -33.8 76.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.085 177.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -66.07 -50.68 63.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.414 176.456 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.444 HG23 ' HB2' ' A' ' 826' ' ' ALA . 0.5 OUTLIER -61.85 -38.89 81.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.324 178.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 2.1 tt0 -68.52 -37.74 80.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 869' ' ' LYS . . . -70.81 -44.95 65.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.086 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 878' ' ' ALA . . . -58.67 -41.89 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.391 -178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -77.84 -32.29 52.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -73.56 -33.93 57.68 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -92.22 1.78 57.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 874' ' ' ALA . . . -83.76 55.73 3.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.227 0.537 . . . . 0.0 109.88 175.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -100.4 -58.17 1.96 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.29 -175.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . 0.453 ' HA ' ' HD2' ' A' ' 881' ' ' PRO . 0.5 OUTLIER -147.78 107.89 3.75 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.23 -176.099 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.453 ' HD2' ' HA ' ' A' ' 880' ' ' HIS . 11.1 Cg_endo -57.87 -50.8 9.37 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.19 1.927 . . . . 0.0 110.052 169.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 35.74 57.44 0.92 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.771 1.294 . . . . 0.0 112.164 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.79 65.49 2.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.147 -176.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.45 36.65 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.926 177.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -24.04 58.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.814 0.816 . . . . 0.0 109.066 176.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -120.89 120.04 34.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.657 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.17 109.35 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 124.462 1.101 . . . . 0.0 112.6 -175.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.81 53.31 2.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.838 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.474 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . 0.431 ' HA3' ' HB2' ' A' ' 755' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.14 -71.24 0.74 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.799 0.333 . . . . 0.0 110.676 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -130.66 -38.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 1.4 ttt -70.92 -20.23 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.142 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . 0.431 ' HB2' ' HA3' ' A' ' 751' ' ' GLY . 0.1 OUTLIER -67.18 104.13 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 179.279 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -161.86 -58.55 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.408 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -129.12 40.66 3.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.41 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.14 33.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.624 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.96 136.48 45.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.935 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.54 116.87 7.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.86 -175.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -140.5 68.99 0.47 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.212 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 885' ' ' GLU . 1.7 mp0 -68.17 -28.34 67.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.849 0.357 . . . . 0.0 110.78 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 763' ' ' LEU . 0.2 OUTLIER -62.15 -35.26 78.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.237 0.541 . . . . 0.0 110.022 175.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.07 -25.86 36.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.334 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.509 ' HB2' ' HA ' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -64.5 -43.82 92.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.359 177.285 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 770' ' ' ALA . . . -87.19 -66.94 1.34 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.408 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . 0.4 HG21 HD11 ' A' ' 763' ' ' LEU . 7.1 t -67.41 -44.71 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.552 0.215 . . . . 0.0 111.493 -175.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.37 -54.7 35.52 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.559 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.77 0.319 . . . . 0.0 111.109 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.735 ' HB3' ' HB3' ' A' ' 869' ' ' LYS . . . -63.7 -45.54 89.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.17 86.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 5.4 m -61.89 -35.15 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.8 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.437 ' CG2' ' HG3' ' A' ' 870' ' ' MET . 41.3 t -63.91 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.4 m -57.93 -44.79 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -69.22 -48.37 62.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.061 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.18 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.45 -48.24 82.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.827 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.9 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.77 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.16 -57.7 7.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 110.644 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.67 HD11 HD12 ' A' ' 840' ' ' ILE . 1.0 OUTLIER -59.96 -38.7 83.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.359 -176.521 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.37 -54.52 39.42 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -66.42 -37.94 86.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.151 0.5 . . . . 0.0 110.064 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.473 ' HE2' ' HG ' ' A' ' 856' ' ' LEU . 74.2 t60 -64.62 -45.6 86.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.231 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.447 HG22 ' HG ' ' A' ' 781' ' ' LEU . 54.6 t -67.88 -50.74 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.78 0.324 . . . . 0.0 111.581 -176.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -64.61 -12.49 46.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -170.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -120.77 -9.99 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -139.58 58.66 1.61 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.678 0.275 . . . . 0.0 111.353 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -109.83 -152.42 0.49 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 11.8 m -62.21 120.84 11.72 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.252 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -62.94 -37.8 95.53 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.091 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -87.29 19.64 3.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.817 0.341 . . . . 0.0 111.065 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -134.11 167.21 23.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.671 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.98 17.18 1.8 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.834 2.356 . . . . 0.0 112.473 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 74.27 -47.29 0.63 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.851 0.86 . . . . 0.0 111.409 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 120.51 -156.64 15.98 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.51 110.76 10.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.973 0.416 . . . . 0.0 109.998 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 798' ' ' TYR . 1.3 m-85 -119.28 -11.8 9.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.801 -177.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -44.54 94.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.703 -173.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.71 -47.25 75.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.883 0.373 . . . . 0.0 110.771 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.97 79.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.052 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.447 ' HA ' HD12 ' A' ' 805' ' ' ILE . 22.0 p -66.15 -35.01 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.959 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.4 -47.12 86.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.041 0.448 . . . . 0.0 109.997 175.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 7.5 m -59.98 -45.22 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.697 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 802' ' ' THR . 9.9 mt -60.34 -55.77 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 mt -56.17 -43.29 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 37.7 m -62.08 -38.12 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 110.269 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.53 HG12 ' HB2' ' A' ' 829' ' ' LEU . 2.3 t -62.03 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.445 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -43.26 95.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.062 0.458 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.51 -37.33 83.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.174 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -61.37 -48.53 80.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.517 HD11 ' HE3' ' A' ' 870' ' ' MET . 4.9 mt -61.54 -40.92 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.738 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -59.56 -43.89 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 9.7 m -74.92 -36.34 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.6 m -96.85 21.9 8.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.413 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 4.9 ttm -65.3 104.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.393 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.55 -25.32 4.02 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.935 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -74.0 -28.46 61.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.242 0.544 . . . . 0.0 110.366 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.525 ' CB ' ' HA ' ' A' ' 878' ' ' ALA . . . 70.69 -60.8 0.49 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.424 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.08 -52.88 50.74 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.722 -177.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.22 -34.55 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.062 0.458 . . . . 0.0 110.078 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 33.8 mtp -62.08 -51.49 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.366 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.431 ' O ' ' HD3' ' A' ' 827' ' ' ARG . 95.4 t -62.59 -41.02 90.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -54.98 -53.87 50.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.686 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -63.55 -39.13 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.15 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.016 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.431 ' HD3' ' O ' ' A' ' 823' ' ' VAL . 3.5 mpp_? -66.6 -41.27 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 6.7 mt -69.41 -35.28 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.152 177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.53 ' HB2' HG12 ' A' ' 808' ' ' VAL . 8.8 tp -57.11 -48.54 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.208 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.91 75.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.15 -54.2 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.883 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.71 89.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.086 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 34.1 m -62.02 -37.47 85.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 39.2 m -62.95 -36.9 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.579 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.28 -40.5 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.099 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.671 HD23 ' HG ' ' A' ' 863' ' ' LEU . 22.9 tp -60.44 -52.0 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.789 178.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.453 ' HA ' HD13 ' A' ' 840' ' ' ILE . 55.8 t -62.42 -33.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.799 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.96 -46.18 88.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.867 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.67 HD12 HD11 ' A' ' 781' ' ' LEU . 5.4 mt -65.77 -44.37 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.52 ' HA ' HD23 ' A' ' 857' ' ' LEU . 0.7 OUTLIER -59.61 -36.15 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.022 -179.46 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.57 -46.01 41.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.352 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.26 -39.98 68.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.681 0.276 . . . . 0.0 111.591 -176.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 840' ' ' ILE . . . -62.59 -32.42 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.327 -179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -76.93 -7.21 55.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.007 0.432 . . . . 0.0 110.889 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -99.31 7.57 60.1 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.551 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -48.48 7.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.512 0.196 . . . . 0.0 110.941 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 1.3 m 62.66 19.1 11.11 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.885 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 850' ' ' LEU . 10.6 t70 -91.01 -26.86 19.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.262 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 61.6 mt 73.82 -57.76 0.61 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.883 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -63.58 -49.41 73.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.786 0.327 . . . . 0.0 110.83 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -71.65 -37.33 70.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.923 0.392 . . . . 0.0 110.383 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 6.5 p -64.9 -45.24 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.44 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 10.7 mtt-85 -59.78 -45.44 92.3 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.742 0.306 . . . . 0.0 110.324 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.468 ' HB3' ' NE2' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.8 -40.55 69.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.498 0.666 . . . . 0.0 110.389 176.43 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.473 ' HG ' ' HE2' ' A' ' 784' ' ' HIS . 5.6 mt -65.85 -50.04 66.0 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.317 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -31.9 59.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.934 -175.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 862' ' ' ILE . 52.7 m -66.05 -40.73 91.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.505 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -63.7 -41.32 98.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.082 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.55 -34.43 76.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.869 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -64.66 -39.97 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.242 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.505 HD11 ' HA ' ' A' ' 859' ' ' ALA . 17.4 mt -65.08 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.671 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.3 OUTLIER -54.49 -50.36 67.97 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.281 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.48 81.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.71 -50.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.044 0.449 . . . . 0.0 110.843 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.3 86.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 97.6 m -62.18 -42.76 99.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.96 99.57 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . 0.735 ' HB3' ' HB3' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -61.08 -41.2 96.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.087 177.289 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.517 ' HE3' HD11 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -62.35 -51.36 67.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.81 179.099 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.564 HG11 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -63.8 -38.08 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.046 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.564 ' N ' HG11 ' A' ' 871' ' ' VAL . 8.8 tp10 -66.14 -49.49 67.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.753 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -43.64 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.44 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.91 90.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.054 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -30.42 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -80.21 -11.03 84.79 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.733 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -106.1 0.64 25.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.005 0.431 . . . . 0.0 110.743 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.525 ' HA ' ' CB ' ' A' ' 819' ' ' ALA . . . -69.86 114.84 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.73 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 70.64 -64.23 0.38 Allowed 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.117 0.886 . . . . 0.0 111.094 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . 0.403 ' HA ' ' HD3' ' A' ' 881' ' ' PRO . 1.4 t-80 -118.51 131.83 24.08 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.358 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 880' ' ' HIS . 12.6 Cg_exo -70.34 73.46 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.88 2.386 . . . . 0.0 111.062 174.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.97 28.3 4.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.257 -176.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.53 174.34 6.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.048 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.0 61.37 6.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.402 0.62 . . . . 0.0 109.881 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.649 ' HB2' ' HB3' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -77.46 -29.1 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.45 -174.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -123.41 -31.29 3.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.455 -177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -99.74 41.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.093 0.473 . . . . 0.0 111.276 -176.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.55 1.69 54.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.334 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.645 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.821 -0.511 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -15.84 62.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.062 0.458 . . . . 0.0 111.045 -178.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -101.19 18.34 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.152 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 754' ' ' MET . . . . . 0.494 ' HB3' ' HG3' ' A' ' 759' ' ' GLU . 0.1 OUTLIER -68.32 -42.41 79.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.098 0.475 . . . . 0.0 109.985 177.078 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 126.36 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.677 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.94 80.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . 0.438 ' HB3' ' H ' ' A' ' 758' ' ' THR . . . -170.55 -107.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.663 178.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.536 HG21 ' HB3' ' A' ' 764' ' ' LEU . 0.0 OUTLIER -89.39 4.99 47.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -174.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . 0.494 ' HG3' ' HB3' ' A' ' 754' ' ' MET . 1.0 OUTLIER -69.02 100.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.399 -179.254 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.82 26.04 15.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.25 -176.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -106.98 110.3 3.24 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -75.31 -28.41 59.67 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.552 HD13 ' HG2' ' A' ' 816' ' ' MET . 0.5 OUTLIER -63.98 -54.02 40.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.564 -178.6 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . 0.536 ' HB3' HG21 ' A' ' 758' ' ' THR . 0.1 OUTLIER -70.27 -16.96 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.47 ' HE ' ' HA ' ' A' ' 765' ' ' ARG . 1.8 tpm_? -82.46 -66.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -65.89 -55.79 17.76 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.601 -175.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.27 -39.23 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.733 0.302 . . . . 0.0 110.665 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -60.23 -53.44 45.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.495 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.73 99.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 111.01 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.1 -45.31 81.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.284 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . 0.416 ' HB1' ' CZ ' ' A' ' 813' ' ' PHE . . . -63.95 -44.97 91.21 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.026 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 89.6 m -61.65 -37.46 84.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.66 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.445 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.13 -44.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.401 . . . . 0.0 110.472 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 18.9 m -57.16 -42.24 80.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.99 178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.38 -45.44 87.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.08 98.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.61 HD23 ' HB2' ' A' ' 806' ' ' LEU . 0.5 OUTLIER -62.02 -45.55 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.016 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -58.58 -37.87 76.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.3 -54.2 36.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.843 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.592 HD12 ' HB2' ' A' ' 859' ' ' ALA . 0.9 OUTLIER -64.1 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.156 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.1 -45.33 83.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 110.535 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.29 -45.75 83.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.67 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.654 ' HE2' ' HG ' ' A' ' 856' ' ' LEU . 78.9 t60 -61.77 -44.35 97.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.679 -176.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.692 HG12 ' HA ' ' A' ' 789' ' ' ALA . 85.5 t -72.64 -29.71 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.97 0.414 . . . . 0.0 111.019 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -25.76 67.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.737 0.304 . . . . 0.0 111.181 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -109.24 -25.18 10.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.351 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -145.22 77.5 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.019 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.692 ' HA ' HG12 ' A' ' 785' ' ' VAL . . . -64.84 -67.99 0.39 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.96 0.41 . . . . 0.0 110.08 176.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 847' ' ' GLU . 0.6 OUTLIER -95.17 -54.88 3.26 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.263 0.554 . . . . 0.0 109.57 171.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 151.3 -101.03 0.21 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.581 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -93.11 -8.81 41.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.268 0.556 . . . . 0.0 109.995 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . 0.463 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . -89.69 -130.5 4.1 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.617 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.463 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 1.1 Cg_endo -84.34 -155.4 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.598 2.865 . . . . 0.0 112.874 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.448 ' HA ' ' CB ' ' A' ' 789' ' ' ALA . . . -136.95 86.1 2.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.68 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -70.87 100.95 0.88 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.104 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -92.04 127.74 37.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.189 0.519 . . . . 0.0 110.933 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.53 36.31 4.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.911 176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -35.94 78.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.702 -172.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -68.38 -39.99 81.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.677 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -63.31 -48.16 79.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.515 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 778' ' ' LEU . 0.6 OUTLIER -62.93 -39.73 95.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.568 178.293 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.41 -47.26 86.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.506 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.3 m -59.25 -45.42 91.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 20.2 mt -60.76 -53.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.945 179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.61 ' HB2' HD23 ' A' ' 778' ' ' LEU . 0.1 OUTLIER -54.37 -46.49 73.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.5 m -61.95 -46.21 90.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.509 HG12 ' HB2' ' A' ' 829' ' ' LEU . 2.6 t -57.97 -48.28 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.628 ' HA ' HD13 ' A' ' 812' ' ' ILE . 1.3 m -63.16 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.846 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.28 -41.44 98.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.157 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.85 -37.6 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.554 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.628 HD13 ' HA ' ' A' ' 809' ' ' THR . 4.9 mt -64.96 -36.52 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.416 ' CZ ' ' HB1' ' A' ' 771' ' ' ALA . 22.0 m-85 -60.97 -47.4 86.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 110.453 176.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -35.82 80.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.319 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.0 m -98.52 22.56 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.552 ' HG2' HD13 ' A' ' 763' ' ' LEU . 9.5 ttm -67.09 96.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 0.0 110.456 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.16 -5.52 7.28 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.89 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.26 -22.62 30.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.229 0.538 . . . . 0.0 110.182 176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 878' ' ' ALA . . . 67.69 -65.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.438 -1.256 . . . . 0.0 112.102 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.9 62.29 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.546 -0.359 . . . . 0.0 112.888 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -61.09 -38.79 87.52 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 40.0 mtp -60.5 -51.51 69.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.788 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.17 -39.1 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -54.76 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.555 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -63.38 -40.21 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.471 ' HB2' HG22 ' A' ' 871' ' ' VAL . . . -59.76 -36.87 77.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.29 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -64.9 -42.14 95.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.957 0.408 . . . . 0.0 110.435 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 7.0 mt -68.12 -37.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.085 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.509 ' HB2' HG12 ' A' ' 808' ' ' VAL . 19.8 tp -57.51 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.353 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -62.08 -39.85 93.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.03 -45.85 83.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.05 69.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.59 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.5 m -62.42 -31.31 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -59.66 -45.73 91.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.02 -39.01 76.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.396 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.739 HD23 ' HG ' ' A' ' 863' ' ' LEU . 27.4 tp -60.46 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.993 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.27 -40.8 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 0.0 110.554 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.65 -40.31 94.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.82 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.92 91.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.749 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.414 HD11 HD21 ' A' ' 781' ' ' LEU . 5.0 mt -61.62 -44.58 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 177.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -59.61 -38.87 82.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.801 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -69.64 -39.67 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.262 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.78 -48.77 35.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.289 . . . . 0.0 110.979 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.08 -18.74 61.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.626 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -68.06 -30.79 70.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.177 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -90.77 -9.19 64.52 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.226 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 790' ' ' THR . 5.4 tp10 -78.1 136.24 37.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.872 0.367 . . . . 0.0 111.049 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.34 -24.74 25.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.222 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -70.71 90.33 0.77 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.086 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -25.66 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.441 -175.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 2.7 tp10 -69.52 -49.7 51.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -66.29 -40.37 90.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.045 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.413 ' HA ' HD12 ' A' ' 856' ' ' LEU . 70.5 p -62.56 -39.38 93.47 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -46.6 87.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.416 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 12.6 mmtt -58.44 -42.78 88.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.429 0.633 . . . . 0.0 110.165 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.654 ' HG ' ' HE2' ' A' ' 784' ' ' HIS . 6.1 mt -59.09 -50.1 75.37 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.435 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.81 -22.44 56.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.514 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.441 ' O ' HG13 ' A' ' 862' ' ' ILE . 51.9 m -73.0 -44.19 61.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.914 0.387 . . . . 0.0 110.007 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.596 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -63.66 -39.81 95.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.367 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.77 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.74 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -41.55 97.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.445 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.596 HD11 ' HA ' ' A' ' 859' ' ' ALA . 6.7 mt -62.33 -42.55 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.739 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.3 OUTLIER -54.75 -54.58 40.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.559 177.545 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -63.34 -48.77 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.39 -36.37 83.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 867' ' ' THR . . . . . . . . . . . . . 73.7 m -61.68 -41.03 97.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.846 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -66.85 -35.91 81.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.759 0.314 . . . . 0.0 110.734 177.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -63.98 -41.71 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.539 ' HE2' HG21 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -68.24 -50.24 55.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.093 179.464 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 826' ' ' ALA . 0.3 OUTLIER -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.689 -178.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.48 -33.21 64.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.38 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.889 0.376 . . . . 0.0 110.462 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.09 89.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -35.93 82.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.795 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -77.81 0.33 71.98 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.61 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -118.31 7.89 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.443 . . . . 0.0 110.508 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' A' ' 819' ' ' ALA . . . -66.93 -27.94 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -94.44 12.42 27.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.302 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -136.64 87.68 20.48 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.54 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.25 -178.24 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.562 2.174 . . . . 0.0 111.094 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -76.07 66.73 2.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.192 0.52 . . . . 0.0 109.867 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 4.6 m -172.22 -178.04 1.97 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.387 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 61.85 36.52 15.95 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.655 0.597 . . . . 0.0 111.699 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -95.15 148.36 22.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.761 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -136.1 -164.8 1.61 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.742 0.306 . . . . 0.0 110.669 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -91.96 -3.37 55.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.68 41.8 3.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.534 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.263 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -73.36 0.29 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.964 0.412 . . . . 0.0 110.29 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -166.81 -72.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.3 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.35 107.7 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.293 -177.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . 0.575 ' HB2' HG22 ' A' ' 758' ' ' THR . 53.2 mt-30 -125.44 178.2 5.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.1 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -76.44 -25.66 54.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.449 . . . . 0.0 110.715 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -130.62 42.86 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.575 HG22 ' HB2' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -75.43 91.22 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.423 177.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.84 -6.27 53.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.448 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.13 -21.23 62.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.214 0.531 . . . . 0.0 109.685 174.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -87.75 55.51 4.4 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . 0.448 ' HG2' ' HA3' ' A' ' 766' ' ' GLY . 2.3 tt0 -109.64 23.48 14.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.624 0.25 . . . . 0.0 110.958 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.439 HD13 ' HG2' ' A' ' 816' ' ' MET . 0.3 OUTLIER -58.25 -53.62 56.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.814 -178.69 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 1.3 mp -98.09 -35.44 10.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.029 0.442 . . . . 0.0 110.174 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.423 ' HB2' ' HA ' ' A' ' 762' ' ' GLN . 8.4 mmp_? -58.89 -44.83 91.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.774 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . 0.448 ' HA3' ' HG2' ' A' ' 762' ' ' GLN . . . -98.15 -59.92 0.93 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.85 -177.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.12 -42.32 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.41 -47.32 88.93 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.458 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.09 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.693 0.282 . . . . 0.0 111.152 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.503 ' HB3' ' HA ' ' A' ' 870' ' ' MET . . . -67.68 -42.77 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.488 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.48 98.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.159 0.504 . . . . 0.0 110.761 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 20.5 m -65.96 -34.59 78.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.892 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.47 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.851 0.358 . . . . 0.0 110.556 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.497 HG23 ' HB3' ' A' ' 866' ' ' ALA . 83.9 t -63.89 -44.3 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 14.8 m -58.02 -46.54 85.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.982 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.33 -41.16 81.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.29 90.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 110.761 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.44 ' CD2' ' HG ' ' A' ' 806' ' ' LEU . 1.2 tp -66.09 -42.56 89.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.753 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . 0.445 ' O ' ' HG2' ' A' ' 783' ' ' GLN . 1.1 m-20 -58.15 -37.79 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.38 -51.96 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.718 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 859' ' ' ALA . 0.5 OUTLIER -68.72 -37.49 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.361 -176.722 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.19 -53.5 52.67 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 779' ' ' ASN . 3.2 mm-40 -69.08 -34.97 75.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.233 0.539 . . . . 0.0 110.129 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 70.4 t60 -64.12 -34.32 77.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.627 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 38.7 t -79.17 -49.71 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.792 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -57.69 -34.52 69.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -174.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -96.24 14.12 25.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 26.2 m-70 -144.92 -77.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.396 -0.19 . . . . 0.0 110.528 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 59.07 -93.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.772 0.67 . . . . 0.0 112.05 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.11 39.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.91 0.386 . . . . 0.0 110.329 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . 0.452 ' HA2' ' HB2' ' A' ' 849' ' ' ASP . . . 76.04 -63.63 2.81 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -171.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -113.22 31.23 6.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.137 0.494 . . . . 0.0 110.043 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . 0.4 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -75.94 123.14 6.85 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.848 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.4 ' HD3' ' HA2' ' A' ' 793' ' ' GLY . 32.3 Cg_exo -59.07 -47.99 15.76 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.004 2.47 . . . . 0.0 112.709 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -172.73 -161.03 0.15 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.78 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 76.45 -155.36 45.3 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.632 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.3 101.38 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.826 0.451 . . . . 0.0 111.171 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 52.83 19.94 1.46 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.907 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -74.44 -29.62 61.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 0.0 111.504 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.24 -39.07 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.971 0.415 . . . . 0.0 110.275 176.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.33 86.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.744 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.96 -42.83 99.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.518 179.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.88 -39.94 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.735 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 26.9 m -59.43 -49.72 76.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.44 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.8 mt -59.19 -50.55 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 778' ' ' LEU . 1.0 OUTLIER -52.82 -48.6 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 178.269 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.5 m -60.08 -46.16 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.199 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.598 HG12 ' HB2' ' A' ' 829' ' ' LEU . 25.2 t -64.39 -47.34 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.588 0.232 . . . . 0.0 111.347 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.2 m -63.42 -40.07 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.472 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -37.75 88.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.937 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -61.06 -42.6 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.411 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.4 mt -63.42 -37.77 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.95 -46.71 88.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.132 0.491 . . . . 0.0 110.309 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 1.5 m -67.22 -49.36 64.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.16 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.7 m -88.81 31.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.696 0.284 . . . . 0.0 111.525 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.439 ' HG2' HD13 ' A' ' 763' ' ' LEU . 3.7 ttm -68.07 105.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.93 -22.62 5.4 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 0.4 OUTLIER -84.36 82.89 8.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.762 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -50.34 -58.61 5.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.85 95.06 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.82 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 19.1 tp10 -62.8 -43.15 99.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.819 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.411 ' HG2' HG23 ' A' ' 812' ' ' ILE . 13.6 mtp -59.76 -47.12 86.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 23.9 t -62.76 -41.98 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.093 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.888 ' HA ' ' HD3' ' A' ' 827' ' ' ARG . 2.8 tmm_? -55.37 -51.56 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -65.53 -35.36 80.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.47 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.27 98.99 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.888 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -69.66 -28.62 66.03 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.379 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 40.4 mt -70.06 -42.42 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.598 ' HB2' HG12 ' A' ' 808' ' ' VAL . 15.5 tp -55.82 -47.42 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.587 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.644 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -58.16 -38.36 76.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.977 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.85 -49.22 31.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.232 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.58 95.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.288 -176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.54 HG23 ' OG1' ' A' ' 867' ' ' THR . 5.5 m -65.97 -33.96 77.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.993 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -39.73 95.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.92 -41.59 91.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.248 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.847 HD23 ' HG ' ' A' ' 863' ' ' LEU . 15.3 tp -59.29 -52.0 67.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.893 178.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.509 HG22 ' HB1' ' A' ' 864' ' ' ALA . 89.6 t -64.99 -41.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -61.56 -45.19 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.52 90.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.445 HD11 HD22 ' A' ' 781' ' ' LEU . 6.5 mt -63.8 -49.35 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.846 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.407 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.8 OUTLIER -56.67 -39.0 73.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -177.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -75.63 -50.22 16.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.28 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.84 -38.91 92.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.505 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.555 ' HB1' HD21 ' A' ' 857' ' ' LEU . . . -66.55 -22.77 66.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.69 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -75.47 -9.82 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -134.01 37.29 1.99 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.53 170.06 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.076 0.465 . . . . 0.0 111.336 -175.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 5.6 m -103.3 -38.8 7.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.123 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 11.8 t70 -71.76 -42.41 67.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.492 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.53 ' HB2' ' O ' ' A' ' 849' ' ' ASP . 0.3 OUTLIER 78.52 -53.22 0.48 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.608 0.763 . . . . 0.0 111.198 178.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.02 -44.74 88.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.628 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 6.4 t30 -53.86 -45.48 70.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.608 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.569 ' HA ' ' CD1' ' A' ' 856' ' ' LEU . 0.3 OUTLIER -61.97 -41.91 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.613 -176.616 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -60.17 -34.12 73.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.087 0.47 . . . . 0.0 110.368 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -33.05 56.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.81 177.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 852' ' ' ASN . 89.5 mt -58.24 -47.78 82.45 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.876 -178.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.555 HD21 ' HB1' ' A' ' 844' ' ' ALA . 1.2 mt -68.32 -36.55 79.46 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.942 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.7 m -62.21 -47.64 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.227 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.591 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -64.82 -39.23 93.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -64.09 -32.05 73.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -43.75 98.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.25 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.591 HD13 ' HA ' ' A' ' 859' ' ' ALA . 1.0 OUTLIER -67.11 -36.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.275 176.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.847 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.1 OUTLIER -55.0 -56.37 20.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.541 177.532 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 837' ' ' VAL . . . -66.34 -36.02 81.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.721 -177.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.46 -42.71 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.551 . . . . 0.0 110.11 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.497 ' HB3' HG23 ' A' ' 774' ' ' VAL . . . -64.4 -34.28 77.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.938 178.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.644 HG22 ' HA ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -62.5 -44.35 96.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.331 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -64.66 -37.61 88.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.512 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.53 -43.89 92.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.251 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.503 ' HA ' ' HB3' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -66.26 -49.06 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.581 HG13 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -62.53 -35.97 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.268 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.581 ' N ' HG13 ' A' ' 871' ' ' VAL . 1.6 tt0 -67.6 -40.28 84.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.73 -45.25 65.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.963 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.83 96.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -69.03 -27.08 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.438 . . . . 0.0 110.749 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -81.07 -24.14 58.08 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -73.45 -21.98 60.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.988 0.423 . . . . 0.0 110.545 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -75.98 79.72 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.924 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.15 -37.12 69.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -96.05 113.04 61.43 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.99 66.43 2.49 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.772 2.315 . . . . 0.0 112.237 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.75 -2.07 18.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.31 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.87 48.7 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.093 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 152.5 21.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.867 -174.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -19.25 53.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.598 0.713 . . . . 0.0 109.649 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -27.4 67.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.481 174.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -86.99 113.98 23.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -102.41 40.79 1.3 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.185 0.517 . . . . 0.0 110.819 -172.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.893 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.102 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 13.6 m 57.79 37.92 27.2 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 122.837 0.455 . . . . 0.0 112.026 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -153.6 -167.37 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 3.2 ttm -86.75 41.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.169 0.509 . . . . 0.0 110.668 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -74.5 -27.9 60.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.125 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -178.08 93.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.794 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.32 146.45 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.708 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.83 53.67 11.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.487 -177.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.15 102.65 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.935 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . 0.885 ' HA ' ' HA ' ' A' ' 883' ' ' SER . 4.9 m-20 -108.86 21.14 17.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.647 -174.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 104.08 37.71 2.85 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.243 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -89.32 61.98 5.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.192 0.52 . . . . 0.0 109.935 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -65.04 0.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.148 -176.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -21.2 44.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.936 0.398 . . . . 0.0 110.774 -176.473 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 765' ' ' ARG . 0.0 OUTLIER -72.31 -47.57 48.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.5 177.421 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -87.61 -60.57 1.61 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.475 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.16 -45.26 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.449 0.166 . . . . 0.0 110.809 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -54.04 -52.11 45.53 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.634 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.14 97.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 869' ' ' LYS . . . -64.63 -45.21 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.137 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 813' ' ' PHE . . . -62.72 -41.04 98.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.4 m -62.8 -43.95 97.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.366 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.88 79.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.36 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.523 HG21 ' HB1' ' A' ' 866' ' ' ALA . 96.3 t -62.7 -50.3 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.878 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.6 m -59.16 -40.38 85.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.74 -39.37 70.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.43 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 110.263 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 802' ' ' THR . 2.4 tp -61.56 -45.01 95.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.293 176.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 783' ' ' GLN . 2.7 m-20 -57.44 -43.84 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.86 -54.22 49.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.621 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.499 HD13 HD11 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -60.76 -43.6 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.126 -178.518 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.486 ' HG ' HG21 ' A' ' 802' ' ' THR . 5.2 mt -58.03 -46.77 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.138 -178.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 779' ' ' ASN . 70.1 mt-30 -65.5 -32.28 73.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.266 0.555 . . . . 0.0 110.586 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.412 ' HE2' ' HG ' ' A' ' 856' ' ' LEU . 48.0 t60 -75.5 -46.65 31.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.191 -177.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 788' ' ' HIS . 88.3 t -70.65 -31.33 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.915 0.388 . . . . 0.0 111.165 -176.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -63.84 -30.8 71.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.794 0.33 . . . . 0.0 110.652 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -95.37 -24.99 16.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.515 ' O ' ' HA ' ' A' ' 785' ' ' VAL . 91.8 m-70 -139.56 112.7 8.16 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.745 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.412 ' HB1' ' HD2' ' A' ' 794' ' ' PRO . . . -138.22 -178.13 5.14 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.083 176.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.16 114.58 13.83 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 177.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . 0.469 ' O ' ' HB1' ' A' ' 792' ' ' ALA . . . 97.9 51.25 1.53 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -175.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 791' ' ' GLY . . . 74.42 -68.81 0.2 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.601 0.761 . . . . 0.0 110.843 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 171.62 68.13 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.569 -0.825 . . . . 0.0 112.653 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.412 ' HD2' ' HB1' ' A' ' 789' ' ' ALA . 11.4 Cg_exo -71.95 -6.34 18.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.602 2.201 . . . . 0.0 112.111 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 71.02 -61.36 0.48 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.858 0.863 . . . . 0.0 111.724 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -72.07 118.02 6.68 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.414 ' HB3' ' CE1' ' A' ' 798' ' ' TYR . 0.0 OUTLIER -158.63 -48.02 0.06 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.567 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -131.98 34.65 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.519 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -74.2 -21.74 59.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.103 -171.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -76.91 -41.87 41.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.014 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.64 83.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.118 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.526 ' HA ' HD12 ' A' ' 778' ' ' LEU . 1.9 p -59.09 -46.38 88.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -178.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.51 -44.61 93.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.65 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.6 m -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.61 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 4.0 mt -57.25 -53.98 36.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.693 0.282 . . . . 0.0 110.787 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.471 ' HB2' HD21 ' A' ' 778' ' ' LEU . 1.5 tt -55.24 -47.72 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.9 m -58.08 -44.61 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.56 HG12 ' HB2' ' A' ' 829' ' ' LEU . 5.2 t -65.15 -48.59 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.445 ' HA ' HD11 ' A' ' 812' ' ' ILE . 1.0 OUTLIER -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.704 0.287 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.44 -33.83 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.325 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.6 m-20 -61.58 -39.93 92.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.489 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.589 HD13 ' HE3' ' A' ' 870' ' ' MET . 4.4 mt -65.51 -33.78 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 771' ' ' ALA . 23.7 m-85 -64.82 -47.35 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.427 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 49.5 m -109.52 34.73 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.778 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.493 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.9 ttm -68.0 97.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.34 0.591 . . . . 0.0 109.7 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.64 -22.87 3.46 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -173.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -88.97 83.62 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.586 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -45.28 -57.85 3.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.946 -1.025 . . . . 0.0 113.278 -173.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 824' ' ' ARG . . . -55.82 -48.27 73.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.754 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 6.1 tp10 -68.38 -40.58 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.538 0.209 . . . . 0.0 110.472 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.493 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 7.9 mtp -57.94 -50.32 73.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' A' ' 875' ' ' LYS . 38.2 t -67.35 -39.48 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.174 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 820' ' ' GLY . 0.4 OUTLIER -55.79 -55.03 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.779 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.528 ' HB3' HG13 ' A' ' 808' ' ' VAL . 78.4 mm-40 -61.62 -39.08 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.465 0.478 . . . . 0.0 110.621 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.416 ' HB3' HG21 ' A' ' 871' ' ' VAL . . . -55.17 -43.04 73.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.176 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.485 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 1.7 mtp-105 -62.39 -42.21 99.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.919 0.39 . . . . 0.0 110.581 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 9.0 mt -66.76 -40.29 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.56 ' HB2' HG12 ' A' ' 808' ' ' VAL . 13.9 tp -57.54 -48.69 78.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.273 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.523 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -56.27 -46.71 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -66.7 -40.16 88.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.088 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.94 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.183 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.9 m -64.15 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.144 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.5 m -58.94 -44.36 91.39 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.93 -40.23 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.449 HD21 ' HG ' ' A' ' 863' ' ' LEU . 52.4 tp -61.46 -51.77 67.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.79 -41.9 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 -178.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.84 -43.44 94.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.499 HD11 HD13 ' A' ' 781' ' ' LEU . 8.1 mt -62.56 -48.28 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.439 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER -59.19 -37.03 76.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.305 -177.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.32 -39.14 54.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.175 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.2 -46.39 42.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.581 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.31 -21.09 66.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.97 -22.6 66.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.639 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -113.13 29.0 8.3 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.221 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.25 149.2 26.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.833 0.349 . . . . 0.0 110.48 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -29.14 58.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.792 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.66 125.21 51.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.57 -29.31 46.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.5 OUTLIER -69.66 -48.01 61.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.465 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -60.15 -39.4 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.948 175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 3.4 t -57.88 -47.11 83.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.141 175.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -56.84 -43.13 80.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.98 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 9.5 mmtt -60.19 -45.31 93.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.435 0.636 . . . . 0.0 109.92 176.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.412 ' HG ' ' HE2' ' A' ' 784' ' ' HIS . 7.2 mt -59.94 -49.77 76.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.698 -176.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.439 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 3.1 mt -75.88 -29.22 58.42 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.212 -0.903 . . . . 0.0 111.621 -175.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 62.9 m -68.16 -39.52 82.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -65.58 -39.74 91.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.414 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -65.77 -28.93 69.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.938 177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.45 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.146 176.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 859' ' ' ALA . 8.2 mt -61.32 -44.21 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.045 176.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.449 ' HG ' HD21 ' A' ' 836' ' ' LEU . 0.2 OUTLIER -52.07 -51.99 54.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.878 178.279 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.8 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.06 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.51 -38.38 77.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.698 0.285 . . . . 0.0 111.523 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.523 ' HB1' HG21 ' A' ' 774' ' ' VAL . . . -64.92 -35.68 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.961 0.41 . . . . 0.0 110.519 178.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 830' ' ' ALA . 96.9 m -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.27 93.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.838 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . 0.432 ' HB3' ' HB1' ' A' ' 770' ' ' ALA . 0.1 OUTLIER -54.3 -40.64 68.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.071 176.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.589 ' HE3' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -69.3 -52.23 29.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.444 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.585 ' O ' ' HB3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -62.95 -34.44 66.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.422 . . . . 0.0 111.021 -178.439 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.494 ' HA ' ' HE2' ' A' ' 875' ' ' LYS . 46.5 mm-40 -75.93 -33.66 59.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.458 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -78.11 -51.13 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.31 83.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.621 -175.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.585 ' HB3' ' O ' ' A' ' 871' ' ' VAL . 0.3 OUTLIER -79.28 -24.96 42.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.095 0.474 . . . . 0.0 110.358 -177.666 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -83.47 -49.48 4.89 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.008 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.621 ' HA ' ' HG3' ' A' ' 881' ' ' PRO . . . -85.95 40.29 0.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 0.0 111.046 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.586 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -81.21 102.11 10.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.818 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 65.78 -76.85 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.977 0.798 . . . . 0.0 111.479 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -141.06 110.68 6.54 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.621 ' HG3' ' HA ' ' A' ' 877' ' ' ALA . 6.2 Cg_exo -73.41 -104.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.575 2.183 . . . . 0.0 110.138 173.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . 0.472 ' H ' ' HB2' ' A' ' 881' ' ' PRO . 0.5 OUTLIER -104.83 -45.93 4.44 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 167.292 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 883' ' ' SER . . . . . 0.885 ' HA ' ' HA ' ' A' ' 760' ' ' ASP . 87.6 p 42.59 69.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.091 -1.413 . . . . 0.0 112.754 169.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -67.66 121.54 16.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.34 116.79 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.312 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.48 -40.49 73.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.007 -175.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -74.72 -24.22 58.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.268 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.468 HE21 ' HB3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER 55.5 40.85 31.26 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.927 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.82 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.051 -0.419 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.68 -42.78 27.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.083 0.468 . . . . 0.0 111.129 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -116.83 -36.07 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.861 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 1.2 tpt -136.02 132.42 36.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.48 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -80.99 117.65 21.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -104.97 89.74 3.24 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.98 114.67 16.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.808 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.57 81.58 1.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.163 0.506 . . . . 0.0 111.648 -176.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -149.06 163.36 37.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.46 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . 0.492 ' OD1' ' HD3' ' A' ' 765' ' ' ARG . 9.0 t70 -160.9 -75.69 0.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 119.231 -0.414 . . . . 0.0 109.904 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 16.66 -99.01 0.01 OUTLIER Glycine 0 C--N 1.349 1.254 0 O-C-N 124.805 1.315 . . . . 0.0 114.865 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . 0.506 ' NE2' ' HA ' ' A' ' 877' ' ' ALA . 11.9 pt20 -123.36 -18.75 6.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.919 0.39 . . . . 0.0 110.15 175.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.457 ' HA ' HD11 ' A' ' 763' ' ' LEU . 1.2 mm? -66.7 -64.88 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.583 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.62 -21.51 52.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.049 0.452 . . . . 0.0 110.493 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.518 ' HA ' ' HD2' ' A' ' 765' ' ' ARG . 0.0 OUTLIER -67.56 -58.6 4.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.938 178.485 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -89.58 -61.44 1.37 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.349 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.96 -42.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.531 0.205 . . . . 0.0 111.03 -176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.17 -51.13 59.34 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.677 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.81 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -64.25 -43.53 94.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.432 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 21.3 m -62.74 -36.01 81.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.619 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 866' ' ' ALA . . . -61.72 -45.42 94.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 870' ' ' MET . 62.8 t -63.47 -44.43 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.489 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 20.6 m -57.74 -44.34 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.226 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.8 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 110.267 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.648 HD23 ' HB2' ' A' ' 806' ' ' LEU . 0.3 OUTLIER -61.56 -45.66 93.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.124 175.621 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' ' 783' ' ' GLN . 7.4 m-20 -56.77 -47.73 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.146 176.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.99 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.162 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.74 -44.21 97.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.837 -174.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 782' ' ' LEU . 11.9 mt -60.37 -43.74 96.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.465 0.174 . . . . 0.0 111.15 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 779' ' ' ASN . 30.1 mt-30 -69.56 -43.81 72.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.121 0.486 . . . . 0.0 110.019 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.597 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 74.6 t60 -60.46 -43.22 97.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.732 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 74.3 t -72.24 -53.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.594 0.235 . . . . 0.0 110.922 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -63.93 -22.77 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.924 -174.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -109.86 23.06 14.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.597 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 12.0 m-70 -145.38 -48.73 0.23 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.657 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.51 81.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 110.413 -178.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 124.2 20.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.7 177.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 107.55 -34.4 5.69 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.627 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -85.34 -53.67 5.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 0.0 110.262 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -137.29 -155.65 7.02 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.869 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.16 -18.24 50.88 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.977 2.451 . . . . 0.0 112.253 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 64.46 91.6 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.45 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -58.22 119.37 16.8 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -101.73 120.81 40.95 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.157 0.503 . . . . 0.0 111.235 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.23 29.18 7.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.107 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.32 -42.37 81.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.296 -174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -45.23 89.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.555 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.31 90.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.017 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -37.22 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.949 0.404 . . . . 0.0 110.581 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.02 -45.06 94.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 5.1 m -60.11 -43.03 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.479 HG22 ' CD1' ' A' ' 829' ' ' LEU . 50.4 mt -61.29 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.648 ' HB2' HD23 ' A' ' 778' ' ' LEU . 0.4 OUTLIER -55.17 -40.54 70.78 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.36 0.412 . . . . 0.0 110.987 -179.471 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 87.8 m -59.17 -41.45 88.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.483 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.5 HG11 ' HB3' ' A' ' 825' ' ' GLN . 2.6 t -62.94 -46.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -42.97 99.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.126 0.489 . . . . 0.0 110.571 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -37.51 87.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.343 176.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -61.48 -47.44 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.395 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.577 HD13 ' HE3' ' A' ' 870' ' ' MET . 5.1 mt -58.98 -42.87 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.446 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.87 -39.05 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 70.4 m -85.62 1.0 51.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.647 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.3 m -129.03 24.5 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.741 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 mmt -62.34 105.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.477 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.18 -36.2 2.37 Favored Glycine 0 N--CA 1.445 -0.767 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -84.01 85.25 7.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.626 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -52.17 -42.18 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.91 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.2 -45.91 93.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.644 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.75 -41.69 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.813 0.34 . . . . 0.0 110.247 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 37.0 mtp -58.67 -51.55 69.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.966 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.36 -36.36 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -53.33 58.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.059 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.5 ' HB3' HG11 ' A' ' 808' ' ' VAL . 48.8 mm-40 -66.61 -41.55 88.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.731 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.507 ' HB3' HG21 ' A' ' 871' ' ' VAL . . . -59.42 -36.16 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.436 -179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -66.89 -39.52 87.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 110.493 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 12.5 mt -65.14 -41.23 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 805' ' ' ILE . 16.7 tp -57.41 -48.61 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.971 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.4 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -58.55 -40.4 82.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 111.036 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -46.08 62.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.89 -47.0 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.692 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.7 m -66.28 -31.35 72.11 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.466 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.4 m -59.69 -44.6 93.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.98 0.419 . . . . 0.0 110.038 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -65.24 -46.41 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.288 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.686 HD23 ' HG ' ' A' ' 863' ' ' LEU . 28.6 tp -56.66 -52.1 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.334 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.5 HG12 ' HB1' ' A' ' 860' ' ' ALA . 78.8 t -67.55 -40.51 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.162 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -63.38 -38.69 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 110.741 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.21 80.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.766 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . . . . . . . . . 11.6 mt -62.77 -44.54 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER -54.39 -47.02 73.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.53 73.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.585 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -38.51 62.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.385 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -72.05 -29.22 63.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.909 0.385 . . . . 0.0 110.95 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 89.64 1.04 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 120.06 21.09 3.55 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.942 -175.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 164.54 23.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.942 0.401 . . . . 0.0 110.702 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.4 m -82.47 -34.07 28.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.993 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -108.3 115.03 29.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.894 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 35.4 mt -67.99 -35.41 78.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.147 -175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 6.1 tp10 -62.7 -49.5 74.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.231 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -62.15 -42.02 98.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.973 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.527 ' HA ' HD12 ' A' ' 856' ' ' LEU . 56.2 p -59.68 -37.86 79.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.737 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -46.55 79.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.315 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.632 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 12.4 mmtt -57.41 -38.8 74.9 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.665 0.745 . . . . 0.0 110.55 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 853' ' ' SER . 5.5 mt -55.94 -49.68 72.82 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.551 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.498 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.82 -23.71 55.8 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.823 -174.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.496 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.1 OUTLIER -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.477 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -62.58 -42.12 99.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.176 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.5 ' HB1' HG12 ' A' ' 837' ' ' VAL . . . -63.11 -34.41 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.636 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -43.42 94.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.329 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 858' ' ' SER . 16.1 mt -59.24 -45.43 93.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.124 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.059 175.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.686 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.6 OUTLIER -53.25 -53.2 54.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.657 177.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . 0.449 ' HB1' HG23 ' A' ' 837' ' ' VAL . . . -67.52 -41.62 84.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -176.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.24 -47.58 73.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.536 ' HB2' ' HB3' ' A' ' 773' ' ' ALA . . . -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.428 HG22 ' HG ' ' A' ' 829' ' ' LEU . 53.8 m -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.84 177.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -64.37 -42.69 96.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.048 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -41.18 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.577 ' HE3' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -61.28 -50.75 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.693 178.33 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.507 HG21 ' HB3' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -64.43 -38.55 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.695 179.413 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.16 -46.65 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 0.0 110.701 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.11 81.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -68.0 -43.09 79.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -35.8 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.639 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -72.91 -16.83 78.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.156 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . 0.506 ' HA ' ' NE2' ' A' ' 762' ' ' GLN . . . -96.75 16.55 18.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.0 110.337 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.626 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -107.79 -172.52 2.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.476 178.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -87.42 51.27 2.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.951 0.405 . . . . 0.0 111.063 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 881' ' ' PRO . 11.6 p80 -169.87 145.17 2.42 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . 0.5 ' HG2' ' HB3' ' A' ' 886' ' ' GLN . 3.0 Cg_exo -75.78 0.87 8.73 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 123.118 2.546 . . . . 0.0 111.368 176.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 75.57 -44.84 0.53 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.629 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 10.9 m -72.33 126.75 30.61 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.58 171.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -83.26 55.86 3.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.19 0.519 . . . . 0.0 110.611 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . 0.536 ' HA ' ' OE1' ' A' ' 888' ' ' GLN . 1.2 mt-10 -143.56 43.55 1.5 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.494 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . 0.5 ' HB3' ' HG2' ' A' ' 881' ' ' PRO . 2.9 pt20 -80.27 -35.53 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.948 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -156.82 109.64 2.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.05 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.536 ' OE1' ' HA ' ' A' ' 885' ' ' GLU . 10.6 mm100 -85.53 149.27 25.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.032 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.239 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.65 105.46 10.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.075 0.464 . . . . 0.0 110.961 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -95.31 146.0 24.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.585 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.11 100.52 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.914 0.759 . . . . 0.0 110.816 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . 0.525 ' H ' ' HG3' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -62.52 123.0 17.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.943 -178.379 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -82.38 53.33 2.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.168 0.509 . . . . 0.0 110.676 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -134.22 99.7 4.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.569 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -34.19 75.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -1.46 44.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.052 -173.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -75.48 -72.6 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.521 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 66.63 -118.11 10.29 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.158 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 73.77 -49.07 0.68 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.647 0.779 . . . . 0.0 112.133 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.514 HD13 ' HG2' ' A' ' 816' ' ' MET . 0.9 OUTLIER -57.32 -57.69 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.296 . . . . 0.0 111.657 -175.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -35.95 53.01 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.046 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 765' ' ' ARG . 7.9 mtm180 -59.12 -45.69 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.053 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -89.83 -66.95 1.22 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.588 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.76 -44.88 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.402 0.144 . . . . 0.0 111.367 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.13 -53.39 42.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.467 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.19 98.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.696 0.284 . . . . 0.0 111.282 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.54 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -67.69 -40.42 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.19 -178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.63 85.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 8.6 m -60.99 -35.16 76.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.38 90.39 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.677 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.451 HG23 ' HB1' ' A' ' 866' ' ' ALA . 93.8 t -64.59 -44.63 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.376 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' ' 779' ' ' ASN . 2.7 m -57.68 -47.09 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.938 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.05 -41.39 82.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.25 -45.09 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.432 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 775' ' ' THR . 1.6 t-20 -57.87 -45.96 85.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.407 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -50.33 74.12 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.963 -178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.497 HD13 ' HB1' ' A' ' 859' ' ' ALA . 1.1 tp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.252 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' A' ' 782' ' ' LEU . 5.3 mt -57.55 -45.82 84.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.726 -177.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . 0.403 ' H ' ' HG2' ' A' ' 783' ' ' GLN . 0.0 OUTLIER -76.3 -33.3 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.021 177.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.475 ' CE1' ' HB3' ' A' ' 855' ' ' LYS . 69.8 t60 -61.68 -42.52 99.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.241 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.404 ' CG1' ' HA3' ' A' ' 796' ' ' GLY . 72.4 t -68.5 -54.12 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.702 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -67.56 -12.75 61.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.241 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -105.71 5.87 31.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -138.13 -49.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.603 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -85.94 7.88 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 0.0 111.252 -176.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.56 166.39 12.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.796 -176.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 115.65 -147.94 18.91 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -104.88 130.92 52.93 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 116.42 -96.75 0.73 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.109 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.55 -78.99 0.02 OUTLIER 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.24 2.627 . . . . 0.0 112.775 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 72.09 -46.62 0.65 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.16 0.984 . . . . 0.0 111.376 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . 0.404 ' HA3' ' CG1' ' A' ' 785' ' ' VAL . . . 72.17 75.19 0.7 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 121.241 -0.504 . . . . 0.0 112.071 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.3 110.2 19.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.218 0.532 . . . . 0.0 110.82 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.33 47.95 2.42 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -41.88 84.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.63 -171.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -66.9 -47.82 70.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.232 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.93 74.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.402 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 7.7 p -64.35 -39.48 93.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.101 0.476 . . . . 0.0 110.64 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.2 -46.34 84.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.708 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 22.8 m -59.02 -46.51 88.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.669 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 9.6 mt -57.56 -59.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.666 178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 806' ' ' LEU . 1.5 mt -54.75 -48.44 72.61 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.634 0.584 . . . . 0.0 111.953 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 m -61.05 -39.46 89.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.682 0.277 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.98 -47.22 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.649 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -41.11 99.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.172 0.51 . . . . 0.0 110.374 178.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.5 -39.24 83.17 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.468 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -69.86 -37.29 76.05 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.223 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.602 HD13 ' HE3' ' A' ' 870' ' ' MET . 4.9 mt -60.66 -33.69 55.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.503 178.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.74 -41.2 96.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.72 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -37.72 64.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.822 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.4 m -93.16 19.57 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.359 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.514 ' HG2' HD13 ' A' ' 763' ' ' LEU . 1.9 ttm -67.08 117.68 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 110.722 -179.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 110.88 -15.55 28.64 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.869 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.7 -22.06 51.02 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.132 0.492 . . . . 0.0 110.693 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 878' ' ' ALA . . . 69.11 -60.72 0.45 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.046 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.22 -54.41 38.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.539 -0.363 . . . . 0.0 112.927 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.434 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 1.5 tp10 -62.98 -31.71 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 0.0 110.738 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.412 ' O ' ' HB3' ' A' ' 826' ' ' ALA . 44.7 mtp -66.09 -46.73 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.4 -43.35 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.369 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -52.46 65.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.768 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 822' ' ' MET . . . -59.66 -36.28 76.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.812 0.339 . . . . 0.0 111.301 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -63.06 -38.72 92.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.274 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 7.4 mt -70.97 -37.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.519 ' HG ' HG21 ' A' ' 867' ' ' THR . 2.1 tp -55.97 -48.94 74.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.229 176.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.44 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.894 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -63.03 -48.1 80.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.276 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.09 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.429 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.3 m -67.13 -32.47 73.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.815 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.2 m -58.12 -41.76 84.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.03 -42.68 69.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.526 HD22 ' HG ' ' A' ' 863' ' ' LEU . 15.5 tp -58.08 -51.95 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 75.5 t -62.34 -41.4 91.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.018 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.02 -43.97 97.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.33 98.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.429 HD13 HD23 ' A' ' 781' ' ' LEU . 8.5 mt -66.81 -45.95 86.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -45.82 88.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.409 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.96 89.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.45 -37.73 31.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 840' ' ' ILE . . . -65.85 -18.42 65.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.021 178.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.46 57.25 0.53 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.312 0.577 . . . . 0.0 110.049 173.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 160.05 -85.15 0.12 Allowed Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 848' ' ' SER . 1.7 tm-20 66.24 -179.39 0.2 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 112.236 173.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' SER . . . . . 0.513 ' H ' ' CD ' ' A' ' 847' ' ' GLU . 0.0 OUTLIER -90.92 -39.76 12.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.074 -0.967 . . . . 0.0 109.25 176.063 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -128.47 141.95 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.135 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.568 ' HA ' ' HG ' ' A' ' 853' ' ' SER . 0.4 OUTLIER -73.7 -20.48 60.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.855 0.359 . . . . 0.0 110.695 -178.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.69 -37.95 89.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.337 0.589 . . . . 0.0 109.513 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -72.58 -50.88 22.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.171 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.568 ' HG ' ' HA ' ' A' ' 850' ' ' LEU . 14.7 p -56.98 -51.99 67.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.707 -172.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 31.4 mtt180 -59.11 -46.57 87.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.938 -177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -65.08 -35.03 79.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.115 0.483 . . . . 0.0 111.624 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.2 -36.64 84.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.857 -178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 2.4 mt -68.76 -40.39 79.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.497 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.6 OUTLIER -64.06 -43.4 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.555 177.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.62 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -59.15 -45.23 91.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 178.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -67.9 -27.35 66.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.827 178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.31 83.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.62 HD12 ' HA ' ' A' ' 859' ' ' ALA . 3.0 mt -66.52 -38.03 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.526 ' HG ' HD22 ' A' ' 836' ' ' LEU . 0.6 OUTLIER -57.43 -52.91 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 178.3 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.55 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . 0.475 ' CG ' ' HZ1' ' A' ' 869' ' ' LYS . 1.0 OUTLIER -69.55 -51.35 36.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.762 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.451 ' HB1' HG23 ' A' ' 774' ' ' VAL . . . -60.32 -41.38 93.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.31 -176.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.519 HG21 ' HG ' ' A' ' 829' ' ' LEU . 8.1 m -64.39 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.461 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -68.51 -42.51 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . 0.475 ' HZ1' ' CG ' ' A' ' 865' ' ' ASP . 8.7 mttt -60.2 -39.64 87.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.707 175.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.602 ' HE3' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -65.26 -52.25 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.864 179.014 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.604 HG13 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -63.1 -37.25 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.739 -178.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.604 ' N ' HG13 ' A' ' 871' ' ' VAL . 1.1 tm-20 -69.59 -37.42 76.93 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -71.23 -44.33 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.73 98.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -37.91 65.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.75 86.29 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.871 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -84.97 2.94 40.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.476 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.474 ' HB2' ' HB2' ' A' ' 819' ' ' ALA . . . -78.39 115.42 18.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.209 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.87 71.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.38 83.31 32.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.462 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.26 108.02 1.51 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.015 2.477 . . . . 0.0 111.667 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -78.25 62.07 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.504 0.668 . . . . 0.0 110.515 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 2.4 m -132.09 22.99 4.51 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.806 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.95 175.99 8.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.467 -178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -114.3 42.71 2.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 -175.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.38 75.36 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.577 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 55.61 44.26 26.89 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.645 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.54 46.69 1.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.199 0.523 . . . . 0.0 110.746 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.379 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.281 -0.328 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.38 141.18 38.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -99.55 26.21 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.456 0.646 . . . . 0.0 110.06 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.89 87.25 0.12 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.904 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -121.12 16.54 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.589 174.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -85.21 47.76 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.12 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -117.32 30.39 7.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.484 0.659 . . . . 0.0 109.353 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.488 ' HB ' ' HG3' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -109.7 55.09 0.65 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.714 -175.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -71.71 -27.27 62.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.471 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.84 -40.65 56.46 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.71 176.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . 0.509 ' O ' ' HB2' ' A' ' 765' ' ' ARG . . . 163.18 88.55 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . 0.488 ' HG3' ' HB ' ' A' ' 758' ' ' THR . 0.4 OUTLIER -57.49 -31.95 66.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.809 -178.083 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -64.73 -63.69 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -31.2 70.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 761' ' ' GLY . 0.0 OUTLIER -73.59 -53.78 9.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.639 0.257 . . . . 0.0 110.661 179.18 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -75.2 -62.89 2.64 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.452 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.08 -44.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.271 . . . . 0.0 110.598 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.18 -50.84 59.61 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.652 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 765' ' ' ARG . . . -65.73 -44.37 86.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.664 0.232 . . . . 0.0 110.816 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.26 92.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 22.8 m -64.18 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.69 92.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.512 HG21 ' HB1' ' A' ' 866' ' ' ALA . 99.3 t -61.11 -48.51 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.434 177.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.8 m -58.64 -41.6 86.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.198 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -68.76 -42.11 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.786 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 862' ' ' ILE . . . -61.83 -41.62 98.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 0.0 110.296 177.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.46 HD22 ' HG ' ' A' ' 806' ' ' LEU . 7.2 tp -65.51 -45.86 81.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.545 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.29 -38.69 80.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -58.68 -52.01 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.707 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.477 HD11 ' HB3' ' A' ' 859' ' ' ALA . 1.1 tp -72.37 -41.16 66.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.578 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.76 -53.13 56.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.765 0.317 . . . . 0.0 111.529 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . 0.402 ' O ' ' HB1' ' A' ' 787' ' ' ALA . 10.7 pt20 -67.72 -30.46 69.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.735 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.538 ' NE2' ' HB3' ' A' ' 855' ' ' LYS . 36.4 t60 -69.7 -40.05 76.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.559 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 98.7 t -72.28 -43.74 64.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.412 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -63.78 -35.18 79.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.285 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 783' ' ' GLN . . . -90.21 9.48 28.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.713 -178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 5.7 m-70 -136.38 -125.11 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.83 -177.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . 0.421 ' H ' ' HB3' ' A' ' 788' ' ' HIS . . . 58.39 82.05 0.14 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -170.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 -74.38 0.57 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -165.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -78.02 -95.87 0.24 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.506 -171.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -77.42 75.22 3.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.244 0.545 . . . . 0.0 111.219 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 134.78 101.42 0.69 Allowed Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.73 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.65 -10.63 20.23 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 123.125 2.55 . . . . 0.0 112.793 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -163.68 64.9 0.17 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.105 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -75.78 64.11 2.67 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -92.44 124.71 36.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.301 0.572 . . . . 0.0 111.327 -174.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -94.29 48.58 1.24 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.926 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -43.69 79.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.39 -170.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -34.17 77.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.852 0.358 . . . . 0.0 111.026 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -73.88 -48.18 32.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.691 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.21 -41.55 99.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.87 -46.15 88.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.514 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 86.1 m -59.8 -47.05 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.5 mt -57.59 -50.44 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.544 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.46 ' HG ' HD22 ' A' ' 778' ' ' LEU . 2.9 mt -56.04 -49.3 74.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 57.5 m -58.09 -47.04 84.43 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.111 0.257 . . . . 0.0 110.751 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 829' ' ' LEU . 12.3 t -62.23 -51.93 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.9 m -63.53 -42.47 98.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.049 0.452 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.91 -28.09 67.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.281 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.9 m-20 -64.42 -44.35 91.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 173.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.637 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.5 mt -64.28 -36.09 76.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.519 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.41 -30.06 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.259 0.552 . . . . 0.0 110.092 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 4.2 m -97.76 5.64 48.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.313 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.637 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.1 p -135.26 12.7 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.015 -178.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.582 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 0.4 OUTLIER -64.67 102.16 0.54 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.463 0.649 . . . . 0.0 110.812 -174.647 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.3 -40.17 1.31 Allowed Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -83.24 108.52 16.52 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.463 ' HB2' ' CA ' ' A' ' 878' ' ' ALA . . . -61.96 -41.35 97.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.646 -175.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.22 -54.03 37.75 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.352 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.61 -37.41 79.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.939 0.37 . . . . 0.0 110.581 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.582 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 10.1 mtp -61.17 -48.45 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.789 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.91 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.079 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.577 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 15.2 ttp180 -55.01 -57.4 11.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.66 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.446 ' O ' HG11 ' A' ' 808' ' ' VAL . 72.0 mm-40 -61.8 -37.68 85.29 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.813 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.85 -33.62 68.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 111.368 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.577 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 4.4 mtt180 -65.84 -46.84 77.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.045 0.45 . . . . 0.0 110.014 177.058 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 4.3 mt -66.44 -37.32 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.731 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.647 ' HB2' HG13 ' A' ' 808' ' ' VAL . 7.2 tp -56.98 -49.04 76.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.81 96.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.793 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -45.84 84.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.021 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.47 -49.4 69.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.424 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -65.74 -34.47 78.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.43 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.8 m -57.81 -42.37 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.96 0.41 . . . . 0.0 110.364 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . 0.417 ' O ' ' HB1' ' A' ' 839' ' ' ALA . 38.7 t70 -72.82 -38.11 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 178.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 29.5 tp -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 860' ' ' ALA . 77.4 t -64.68 -40.82 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.558 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.15 -40.73 96.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.42 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 843' ' ' ASP . . . -61.93 -44.32 97.02 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.333 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.416 HD12 HD21 ' A' ' 781' ' ' LEU . 4.7 mt -63.07 -44.95 99.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.48 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -38.55 76.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.12 -46.75 27.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.957 0.408 . . . . 0.0 111.482 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 839' ' ' ALA . 0.2 OUTLIER -70.54 -44.7 66.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.675 -173.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . 0.455 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -65.5 -27.07 68.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.321 -177.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -75.68 -17.14 60.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.843 0.354 . . . . 0.0 110.61 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -89.84 -28.64 17.93 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 174.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.54 142.53 44.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.938 0.399 . . . . 0.0 110.436 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.56 -32.99 20.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.421 -175.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.27 105.42 13.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.981 0.42 . . . . 0.0 110.517 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.409 ' HA ' ' OG ' ' A' ' 853' ' ' SER . 0.8 OUTLIER -68.33 -28.06 66.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.938 -175.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -62.77 -44.9 94.98 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.423 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 16.0 t30 -65.51 -48.22 73.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.529 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.479 ' O ' ' HG ' ' A' ' 857' ' ' LEU . 97.8 p -64.1 -45.03 90.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 -175.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -46.63 76.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.312 0.577 . . . . 0.0 110.1 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.538 ' HB3' ' NE2' ' A' ' 784' ' ' HIS . 6.0 mptt -58.9 -41.34 86.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.094 177.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 853' ' ' SER . 46.9 mt -59.07 -49.89 76.14 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.942 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 853' ' ' SER . 0.7 OUTLIER -69.26 -33.11 72.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.872 -177.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 15.3 m -67.35 -39.65 85.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.714 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.554 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -70.19 -40.63 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.256 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.466 ' O ' HG21 ' A' ' 837' ' ' VAL . . . -62.04 -33.49 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.06 177.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -60.87 -43.18 98.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.407 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.554 HD13 ' HA ' ' A' ' 859' ' ' ALA . 4.1 mt -64.17 -42.68 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.853 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 777' ' ' ALA . 0.2 OUTLIER -51.95 -54.85 24.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.954 178.343 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -62.02 -47.94 82.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.745 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.93 -45.98 79.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.14 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.512 ' HB1' HG21 ' A' ' 774' ' ' VAL . . . -62.74 -37.39 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.462 HG22 ' HG ' ' A' ' 829' ' ' LEU . 88.4 m -65.21 -36.36 83.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.024 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.419 ' HA ' ' HB ' ' A' ' 871' ' ' VAL . . . -71.64 -32.31 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . 0.407 ' O ' ' HB1' ' A' ' 873' ' ' ALA . 13.7 mttp -63.02 -42.81 99.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.47 75.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 868' ' ' ALA . 2.2 t -54.71 -48.26 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.56 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -40.62 90.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.848 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . 0.407 ' HB1' ' O ' ' A' ' 869' ' ' LYS . . . -65.55 -45.17 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.408 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.4 88.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -42.22 83.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.617 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.25 -47.42 64.14 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.406 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -77.48 -1.55 30.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.708 0.289 . . . . 0.0 111.535 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.463 ' CA ' ' HB2' ' A' ' 819' ' ' ALA . . . -72.54 -36.75 68.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 109.911 174.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -79.54 89.02 5.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.162 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -170.09 161.9 6.6 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.51 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.13 107.23 0.91 Allowed 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.417 2.078 . . . . 0.0 111.465 173.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -22.01 60.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.08 124.06 31.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.835 173.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.05 58.28 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.375 0.607 . . . . 0.0 110.325 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.44 65.51 0.88 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.106 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.33 -42.95 2.74 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 887' ' ' GLN . 0.0 OUTLIER -90.39 179.43 5.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.689 170.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -138.96 116.58 11.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.067 0.46 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.378 -178.781 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.3 31.58 18.83 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.934 0.494 . . . . 0.0 111.444 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -121.44 -5.86 9.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.58 144.28 51.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.147 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . 0.525 ' H ' ' HG3' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -82.63 -17.67 43.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.309 178.354 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 53.92 54.05 10.34 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.564 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . 0.441 ' HB3' ' H ' ' A' ' 758' ' ' THR . . . 61.39 -102.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.176 -174.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' ' 757' ' ' ALA . 0.1 OUTLIER -122.35 28.58 7.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.057 0.456 . . . . 0.0 110.751 178.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . 0.419 ' CD ' ' HE ' ' A' ' 765' ' ' ARG . 4.0 mm-40 -83.29 -27.33 29.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.699 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.94 -163.52 0.26 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.652 0.595 . . . . 0.0 111.164 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -78.19 -82.65 0.61 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . 0.44 ' HG2' ' N ' ' A' ' 763' ' ' LEU . 0.3 OUTLIER -167.48 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.927 0.394 . . . . 0.0 110.118 177.752 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.44 ' N ' ' HG2' ' A' ' 762' ' ' GLN . 0.4 OUTLIER -62.16 -53.75 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.849 -178.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.3 -18.84 59.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.984 0.421 . . . . 0.0 110.935 -178.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.419 ' HE ' ' CD ' ' A' ' 759' ' ' GLU . 24.2 ttt-85 -71.01 -51.58 24.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.582 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -86.28 -59.58 1.83 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.612 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . 0.401 HG21 ' HE2' ' A' ' 822' ' ' MET . 2.8 t -67.9 -39.41 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.472 0.177 . . . . 0.0 111.248 -175.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.497 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.83 84.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.54 99.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.416 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.15 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 27.9 m -59.68 -34.7 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.59 81.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 110.708 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.79 -45.58 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.322 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -41.89 81.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 0.0 110.834 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.82 -46.63 71.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.83 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.81 -44.1 82.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -59.88 -40.86 90.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 109.842 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.73 -55.92 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.654 176.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 859' ' ' ALA . 1.3 tp -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.587 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.465 HD21 ' HE2' ' A' ' 786' ' ' LYS . 3.9 mt -57.88 -52.87 63.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.192 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -66.75 -29.01 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.937 0.399 . . . . 0.0 110.49 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -69.19 -51.5 37.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.531 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.54 ' HA ' ' NE2' ' A' ' 788' ' ' HIS . 58.0 t -70.09 -24.58 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.821 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . 0.465 ' HE2' HD21 ' A' ' 782' ' ' LEU . 0.7 OUTLIER -65.88 -2.64 4.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.882 0.373 . . . . 0.0 111.47 177.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -111.09 0.77 17.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.712 ' HE1' HD23 ' A' ' 856' ' ' LEU . 24.1 p80 -162.22 165.6 26.62 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.968 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 173.87 105.66 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.027 171.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 47.34 48.96 16.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.811 0.695 . . . . 0.0 111.934 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 117.93 -105.53 1.26 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.945 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -152.54 49.93 0.75 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.271 0.558 . . . . 0.0 110.553 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -113.35 176.21 17.17 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.299 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -32.43 110.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 1 C-N-CA 125.328 4.019 . . . . 0.0 113.703 175.662 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -76.84 56.88 1.23 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.658 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -110.01 76.65 0.22 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.15 -76.84 0.53 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.751 0.31 . . . . 0.0 111.479 -173.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . 0.443 ' CE2' HG13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -128.74 49.65 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.964 0.412 . . . . 0.0 110.427 -175.238 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.21 -38.97 78.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.19 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -71.23 -42.87 68.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.517 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.65 88.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.171 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.426 HG22 ' HG ' ' A' ' 782' ' ' LEU . 4.0 p -64.01 -40.71 96.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.73 -43.03 80.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.4 m -59.43 -46.42 88.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.677 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.558 HD12 HD22 ' A' ' 836' ' ' LEU . 5.5 mt -61.28 -54.75 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.7 mt -52.04 -49.24 63.83 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.43 0.457 . . . . 0.0 111.118 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.3 m -61.82 -35.85 79.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 2.2 t -65.82 -47.4 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.565 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.79 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.039 0.447 . . . . 0.0 110.4 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -35.95 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.984 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.213 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.621 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 5.4 mt -65.08 -35.33 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.555 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.85 -27.31 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.439 . . . . 0.0 110.411 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -28.64 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.817 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.621 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.7 p -95.96 13.26 27.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.805 -177.19 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.693 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 5.9 ttm -64.33 98.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.257 0.551 . . . . 0.0 110.633 -177.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.64 7.31 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.684 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -14.25 59.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.224 0.535 . . . . 0.0 110.606 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 878' ' ' ALA . . . 66.96 -72.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.528 -1.215 . . . . 0.0 112.771 176.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.18 -53.4 43.01 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.677 -0.297 . . . . 0.0 113.108 -174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.57 -36.69 79.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.693 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 6.6 mtp -59.99 -51.48 69.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.393 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.51 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.501 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -57.71 -55.97 27.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -64.61 -35.96 82.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.8 79.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.941 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 12.3 mtp-105 -68.03 -39.85 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.283 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 12.9 mt -65.61 -37.72 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.974 175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.456 ' HA ' HD12 ' A' ' 829' ' ' LEU . 11.1 tp -57.75 -49.03 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.057 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.479 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -59.91 -39.3 84.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.816 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -44.61 89.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.089 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -68.83 -50.23 51.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.638 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' THR . . . . . 0.492 ' HA ' ' HB3' ' A' ' 836' ' ' LEU . 2.6 m -65.39 -32.09 73.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -176.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.8 m -59.94 -38.19 81.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.181 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -80.16 -36.21 35.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.373 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.558 HD22 HD12 ' A' ' 805' ' ' ILE . 16.6 tp -61.25 -52.2 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.983 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.605 HG11 ' HB2' ' A' ' 860' ' ' ALA . 60.1 t -62.4 -38.08 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.818 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -65.74 -40.23 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.572 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.503 HD13 HD21 ' A' ' 781' ' ' LEU . 0.8 OUTLIER -65.2 -43.97 95.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.944 175.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.485 ' HA ' HD21 ' A' ' 857' ' ' LEU . 21.7 ttpt -60.8 -32.78 72.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.62 179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.64 72.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.138 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -73.66 -43.31 59.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.635 0.255 . . . . 0.0 110.974 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.78 73.95 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.98 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -77.35 91.42 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 126.86 -9.77 7.12 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 853' ' ' SER . 7.7 tp10 -63.58 131.52 48.32 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 4.0 m -67.33 -41.9 84.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.71 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 9.1 t70 -78.72 109.48 12.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . 0.408 ' HA ' HD21 ' A' ' 850' ' ' LEU . 0.5 OUTLIER -72.75 -22.17 60.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.035 -173.086 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -78.35 -47.31 17.99 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.061 175.389 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 1.0 OUTLIER -63.28 -35.59 80.88 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.889 179.596 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.489 ' HB3' ' HB3' ' A' ' 847' ' ' GLU . 97.0 p -59.47 -40.33 86.6 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -64.02 -46.33 84.96 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.221 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 14.7 mmtp -54.57 -39.05 67.39 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.717 0.77 . . . . 0.0 110.46 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.712 HD23 ' HE1' ' A' ' 788' ' ' HIS . 2.5 mt -55.03 -49.91 70.39 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 841' ' ' LYS . 1.3 mt -75.56 -24.87 56.72 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.61 -177.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -46.3 68.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 110.264 175.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.561 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -63.41 -40.59 97.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.435 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.605 ' HB2' HG11 ' A' ' 837' ' ' VAL . . . -66.52 -30.94 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.862 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -63.16 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.414 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.561 HD13 ' HA ' ' A' ' 859' ' ' ALA . 4.7 mt -72.2 -40.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.082 175.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.54 ' HG ' HD21 ' A' ' 836' ' ' LEU . 0.2 OUTLIER -53.36 -57.02 12.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.096 178.587 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -62.28 -43.72 98.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.63 -47.72 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.446 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.44 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.029 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.479 HG21 ' HA ' ' A' ' 830' ' ' ALA . 93.9 m -61.8 -39.29 91.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.234 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.56 -39.68 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.275 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -49.22 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -37.81 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.8 OUTLIER -67.84 -48.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.17 90.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.69 72.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.886 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.39 77.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -71.97 -44.48 45.93 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.826 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -71.44 -36.21 71.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.512 -0.404 . . . . 0.0 110.629 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 819' ' ' ALA . . . -85.94 15.54 4.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.178 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.26 69.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.094 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -106.71 102.17 40.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.561 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.08 56.66 5.51 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.44 2.093 . . . . 0.0 110.566 173.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.58 -16.07 56.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.629 -176.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.37 152.89 44.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.974 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -83.28 52.28 2.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.894 0.378 . . . . 0.0 111.601 -173.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.57 75.92 5.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 58.21 35.41 24.98 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.874 -177.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -80.75 -27.31 36.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.444 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -86.93 136.85 32.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.592 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.016 -177.586 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.85 134.43 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.524 0.202 . . . . 0.0 110.474 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -70.97 100.83 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.99 120.38 7.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.269 -172.383 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -90.89 150.72 21.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.74 90.47 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.983 0.177 . . . . 0.0 111.26 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . 74.76 -50.38 0.67 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.922 0.763 . . . . 0.0 110.404 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.47 56.71 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -55.12 132.51 47.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.633 -174.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.19 -55.25 0.76 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.146 -177.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -154.48 66.94 0.31 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.4 34.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.726 0.298 . . . . 0.0 110.54 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.79 -55.43 34.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.537 -176.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 68.0 mt -96.6 -35.04 11.2 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.76 0.314 . . . . 0.0 110.343 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -46.06 90.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.048 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -95.82 -63.14 0.96 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.512 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.09 -42.99 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.67 -56.45 24.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.579 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 111.207 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . 0.633 ' HB2' ' HA ' ' A' ' 870' ' ' MET . . . -64.64 -43.5 93.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.96 95.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.857 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 38.0 m -60.39 -43.1 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.555 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' A' ' 866' ' ' ALA . . . -57.44 -44.86 85.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.196 179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.74 -48.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.86 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.6 m -59.41 -38.29 80.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -67.54 -47.02 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . 0.471 ' HB1' HD13 ' A' ' 863' ' ' LEU . . . -61.39 -45.43 94.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.427 HD12 HG21 ' A' ' 802' ' ' THR . 7.2 tp -63.96 -43.16 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.25 -44.76 96.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -51.35 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.495 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.55 HD12 HD11 ' A' ' 840' ' ' ILE . 1.3 tp -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.205 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 786' ' ' LYS . 4.3 mt -56.64 -46.03 81.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.705 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.17 -38.7 85.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.108 0.48 . . . . 0.0 110.19 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.473 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 0.1 OUTLIER -63.14 -44.96 94.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.168 -178.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 88.6 t -73.62 -39.03 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -63.53 -38.98 93.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.736 0.303 . . . . 0.0 111.245 -179.5 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.87 57.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.912 0.387 . . . . 0.0 111.133 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 33.0 m-70 -123.89 -128.42 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.729 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 52.32 63.28 2.3 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.635 0.584 . . . . 0.0 110.559 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.66 59.84 4.35 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.405 0.621 . . . . 0.0 111.378 -173.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -149.86 106.76 0.33 Allowed Glycine 0 N--CA 1.44 -1.06 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.96 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -71.09 81.14 0.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.94 0.4 . . . . 0.0 110.747 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 172.99 -89.48 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.649 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.94 44.49 1.73 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.099 2.532 . . . . 0.0 113.415 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -125.03 -88.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.749 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 59.53 28.63 65.32 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.11 24.57 0.27 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.04 0.936 . . . . 0.0 112.507 -176.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 45.21 54.73 6.93 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.322 0.582 . . . . 0.0 110.228 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.55 -46.58 73.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.746 -1.116 . . . . 0.0 112.602 -171.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -74.2 -43.19 58.15 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.884 -177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.03 71.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.427 HG21 HD12 ' A' ' 778' ' ' LEU . 15.5 p -63.95 -42.98 97.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -178.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.85 -46.44 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.959 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 27.6 m -59.0 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.512 HD13 HD21 ' A' ' 836' ' ' LEU . 3.3 mt -57.1 -57.38 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.823 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -47.08 74.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.28 0.362 . . . . 0.0 111.513 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 13.6 m -59.41 -34.62 72.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.719 0.295 . . . . 0.0 110.845 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 829' ' ' LEU . 40.2 t -74.37 -46.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.174 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.144 0.497 . . . . 0.0 110.022 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -37.09 85.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.834 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.05 -47.51 86.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.645 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.4 mt -66.1 -36.94 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.664 0.268 . . . . 0.0 110.822 -178.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.45 -30.75 68.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.154 0.502 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 2.8 m -88.11 -34.86 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.077 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' SER . . . . . 0.645 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 19.5 p -83.48 -2.25 55.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.587 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 mtt -47.31 108.21 0.14 Allowed 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.618 0.574 . . . . 0.0 110.585 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.37 -44.73 1.18 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . 0.463 ' OD2' ' HB2' ' A' ' 821' ' ' GLU . 37.7 t70 -87.59 95.53 10.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.503 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -56.0 -39.71 72.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.439 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.62 -55.52 28.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.669 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.463 ' HB2' ' OD2' ' A' ' 818' ' ' ASP . 6.7 tp10 -64.69 -42.31 95.42 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.651 0.263 . . . . 0.0 110.885 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.587 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 15.2 mtp -56.69 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.007 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.501 HG11 ' HG2' ' A' ' 875' ' ' LYS . 80.8 t -69.27 -41.35 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 0.0 110.491 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . 0.448 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.3 OUTLIER -58.24 -54.3 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.499 ' HA ' ' CD1' ' A' ' 828' ' ' ILE . 48.2 mm-40 -64.59 -33.63 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.49 -38.34 74.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.197 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.404 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 20.3 mtt-85 -68.0 -38.64 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.284 0.564 . . . . 0.0 110.194 178.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 825' ' ' GLN . 12.2 mt -63.81 -37.91 80.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.921 176.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.512 ' HB2' HG11 ' A' ' 808' ' ' VAL . 3.8 tp -61.12 -49.05 78.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.167 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.622 ' HA ' HG22 ' A' ' 867' ' ' THR . . . -56.84 -45.28 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.284 -179.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.16 -43.43 98.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.041 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.88 -50.04 70.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 1.8 m -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.613 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.8 m -61.56 -38.55 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.529 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -77.11 -39.65 48.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.556 HD23 ' HG ' ' A' ' 863' ' ' LEU . 15.2 tp -59.94 -52.1 66.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 860' ' ' ALA . 48.1 t -62.5 -43.66 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -63.69 -35.87 81.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.072 -178.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.43 75.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.55 HD11 HD12 ' A' ' 781' ' ' LEU . 3.1 mt -67.98 -36.79 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.696 ' HE2' HD22 ' A' ' 857' ' ' LEU . 0.0 OUTLIER -57.85 -39.17 77.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.687 179.097 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.03 -46.33 29.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.073 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.47 -48.6 81.07 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.176 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -63.6 -18.64 64.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.202 -175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 79.5 mm-40 -71.94 -25.91 62.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.921 0.391 . . . . 0.0 110.533 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -86.84 -18.4 58.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.801 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.748 ' HG2' HD21 ' A' ' 852' ' ' ASN . 2.7 tp10 -72.24 120.38 17.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 1.1 m -72.0 -22.93 61.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.055 0.455 . . . . 0.0 110.724 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.22 96.62 2.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.307 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.88 -23.17 59.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -176.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.645 ' O ' ' HD2' ' A' ' 855' ' ' LYS . 1.8 mm-40 -66.22 -49.92 65.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.748 HD21 ' HG2' ' A' ' 847' ' ' GLU . 1.0 OUTLIER -64.63 -47.54 78.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.683 178.133 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 57.0 p -59.8 -44.63 93.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.978 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 851' ' ' GLU . 10.1 mtp-105 -59.23 -45.48 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.931 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.645 ' HD2' ' O ' ' A' ' 851' ' ' GLU . 6.8 mttp -58.41 -42.91 88.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.419 0.628 . . . . 0.0 110.138 176.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 853' ' ' SER . 11.0 mt -60.59 -49.84 75.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.912 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.696 HD22 ' HE2' ' A' ' 841' ' ' LYS . 3.0 mt -76.05 -29.28 57.97 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.835 -175.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.457 ' O ' HG13 ' A' ' 862' ' ' ILE . 13.2 m -72.53 -31.95 65.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 174.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.613 ' HA ' HD11 ' A' ' 862' ' ' ILE . . . -69.44 -44.05 72.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.882 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.442 ' HB2' HG13 ' A' ' 837' ' ' VAL . . . -61.33 -32.2 72.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.47 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -40.06 87.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.407 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.613 HD11 ' HA ' ' A' ' 859' ' ' ALA . 1.7 mt -73.38 -36.83 49.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.366 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.556 ' HG ' HD23 ' A' ' 836' ' ' LEU . 0.4 OUTLIER -52.19 -56.49 14.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.713 178.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.49 -40.95 80.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.6 -52.44 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.097 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.504 ' HB1' ' HB1' ' A' ' 773' ' ' ALA . . . -61.78 -36.52 81.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.884 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.622 HG22 ' HA ' ' A' ' 830' ' ' ALA . 43.9 m -68.66 -34.25 75.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.246 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.89 79.98 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.193 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -40.48 94.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.633 ' HA ' ' HB2' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -62.59 -52.28 64.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.032 178.092 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -35.4 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.65 -42.38 64.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.43 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.85 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.571 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.245 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.501 ' HG2' HG11 ' A' ' 823' ' ' VAL . 11.7 mtmt -69.96 -39.62 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.586 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.0 -38.42 94.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.78 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -84.62 10.43 11.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.503 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -70.38 -58.17 4.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.681 0.277 . . . . 0.0 111.08 178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -168.61 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.534 . . . . 0.0 110.227 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.84 130.55 2.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.599 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.99 64.08 4.1 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.464 2.109 . . . . 0.0 111.571 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.32 49.7 1.18 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.775 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -171.93 1.96 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.527 -176.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . 0.479 ' H ' ' HG3' ' A' ' 884' ' ' GLU . 0.3 OUTLIER -64.68 145.39 56.27 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.16 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 153.78 51.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.54 -174.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 71.34 -58.05 0.59 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.814 173.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -81.66 104.34 12.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.778 0.323 . . . . 0.0 110.319 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -141.87 91.16 2.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.997 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.02 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -50.94 64.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.147 0.498 . . . . 0.0 110.222 177.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.86 -48.38 2.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.384 176.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.83 -151.32 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.428 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -120.41 57.55 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.168 0.508 . . . . 0.0 109.712 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -104.47 -64.68 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.72 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -90.45 -4.65 56.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.924 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' THR . . . . . 0.539 HG23 ' HB2' ' A' ' 760' ' ' ASP . 6.5 m 73.37 -54.69 0.69 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.393 0.677 . . . . 0.0 111.769 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 61.46 46.99 7.04 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.364 0.602 . . . . 0.0 110.776 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . 0.539 ' HB2' HG23 ' A' ' 758' ' ' THR . 2.9 t70 -116.18 -160.07 0.74 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.574 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -81.71 57.01 4.94 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.387 -0.435 . . . . 0.0 112.051 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.74 -20.12 65.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.931 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.429 HD11 ' HE1' ' A' ' 822' ' ' MET . 1.2 mm? -56.83 -47.48 80.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.315 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.92 -35.47 22.09 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.545 -178.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -47.27 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.148 -178.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -94.57 -64.4 1.01 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.516 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 763' ' ' LEU . 1.3 t -63.37 -44.56 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.577 0.227 . . . . 0.0 111.109 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.45 -49.66 67.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.42 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.95 90.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.5 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.33 97.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 9.8 m -65.28 -33.89 77.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.486 HG22 ' HG2' ' A' ' 870' ' ' MET . 32.6 t -66.66 -46.38 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 0.0 110.358 176.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 21.7 m -56.05 -40.93 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.115 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -74.07 -42.47 60.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . 0.438 ' HB2' HG23 ' A' ' 862' ' ' ILE . . . -60.33 -45.5 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 179.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.641 HD13 HG22 ' A' ' 805' ' ' ILE . 2.5 tp -62.67 -39.14 92.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.748 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.88 -51.77 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.016 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.569 HD12 HD13 ' A' ' 840' ' ' ILE . 1.8 tp -64.04 -40.67 96.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.439 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.2 mt -54.95 -55.39 31.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.73 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -66.98 -31.7 72.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.963 0.411 . . . . 0.0 110.599 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.53 ' NE2' ' HB3' ' A' ' 855' ' ' LYS . 49.0 t60 -70.78 -34.87 72.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.281 -177.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.411 HG22 ' HG ' ' A' ' 781' ' ' LEU . 53.1 t -78.93 -46.96 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.788 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -58.27 -31.18 67.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.707 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -97.17 7.4 46.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.697 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -147.93 -119.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.245 -0.182 . . . . 0.0 111.033 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 62.38 -167.08 0.21 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.506 0.504 . . . . 0.0 111.322 -178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 19.4 p -84.67 -28.21 26.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.167 0.508 . . . . 0.0 110.959 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 98.77 -74.13 0.55 Allowed Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -118.01 105.8 12.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.01 0.433 . . . . 0.0 110.478 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 162.1 -127.86 1.79 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.927 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -72.73 -16.02 26.71 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.035 2.49 . . . . 0.0 112.172 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -78.63 -86.68 0.06 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.336 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 69.72 -106.27 1.77 Allowed Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -170.97 99.44 0.22 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.278 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -78.48 41.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.541 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -27.68 67.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.741 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -40.92 51.77 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.46 79.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.671 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.414 ' HA ' HD11 ' A' ' 805' ' ' ILE . 4.8 p -63.6 -39.78 95.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.11 -41.26 99.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.421 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 24.5 m -59.07 -44.93 91.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 177.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.641 HG22 HD13 ' A' ' 778' ' ' LEU . 5.2 mt -58.27 -53.21 49.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.351 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.46 -40.04 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 16.6 m -64.8 -34.23 77.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.712 0.291 . . . . 0.0 110.733 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.521 ' CG1' ' HB2' ' A' ' 829' ' ' LEU . 46.4 t -71.67 -50.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.052 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.07 -42.74 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.426 . . . . 0.0 110.533 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.03 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.305 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . 0.417 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 0.9 OUTLIER -58.4 -50.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.277 176.64 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.516 HG21 ' HG2' ' A' ' 822' ' ' MET . 3.2 mt -59.04 -36.35 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.377 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.698 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.6 m -78.13 -38.29 44.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.023 0.44 . . . . 0.0 110.92 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.5 m -93.37 28.6 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.409 ' SD ' HD12 ' A' ' 763' ' ' LEU . 0.0 OUTLIER -63.19 95.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 178.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 138.54 -18.94 3.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.79 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.3 89.99 4.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 174.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' ' 878' ' ' ALA . . . -54.66 -42.92 71.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.691 -174.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -64.03 -50.54 59.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.317 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.58 -37.45 87.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.55 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.516 ' HG2' HG21 ' A' ' 812' ' ' ILE . 32.6 mtp -63.05 -48.78 77.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 178.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 30.4 t -59.45 -45.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.366 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -47.31 86.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.497 ' HA ' HD13 ' A' ' 828' ' ' ILE . 0.0 OUTLIER -61.23 -46.85 88.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.101 179.097 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.412 ' HB3' HG23 ' A' ' 871' ' ' VAL . . . -60.15 -31.13 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.357 -179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -71.57 -34.93 70.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.874 0.368 . . . . 0.0 110.351 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.497 HD13 ' HA ' ' A' ' 825' ' ' GLN . 8.1 mt -65.79 -40.48 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 173.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.521 ' HB2' ' CG1' ' A' ' 808' ' ' VAL . 8.7 tp -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.289 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.444 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -56.66 -44.92 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.14 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -63.63 -44.98 92.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . 0.405 ' HB3' HG13 ' A' ' 805' ' ' ILE . . . -64.95 -49.59 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.64 -176.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.4 m -65.21 -36.92 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.8 m -57.92 -38.4 75.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.479 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.56 -46.95 62.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.277 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.552 HD12 HD12 ' A' ' 840' ' ' ILE . 31.4 tp -56.02 -51.9 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.372 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 860' ' ' ALA . 78.6 t -59.94 -37.56 72.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.435 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -66.02 -39.23 90.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.27 86.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.865 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.569 HD13 HD12 ' A' ' 781' ' ' LEU . 3.6 mt -65.74 -38.92 83.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.438 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.1 OUTLIER -60.16 -39.25 85.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 178.729 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.11 -37.98 57.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.346 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.11 -49.89 53.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.896 -176.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -61.78 -18.59 60.46 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.666 -177.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -62.62 -35.14 78.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -123.22 48.09 0.98 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.522 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . 0.438 ' OE2' ' HB3' ' A' ' 852' ' ' ASN . 0.0 OUTLIER -99.87 -179.79 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 -178.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.02 56.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.967 0.413 . . . . 0.0 111.572 -175.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.453 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 3.9 t70 -172.31 -161.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.85 -51.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.92 -34.78 71.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.813 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.453 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 42.6 t30 -64.43 -41.54 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.141 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.56 -44.74 85.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.155 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -59.12 -45.03 91.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.53 ' HB3' ' NE2' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.53 -43.95 72.38 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.835 175.045 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 840' ' ' ILE . 5.2 mt -60.87 -50.08 74.89 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.366 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -23.75 56.23 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.278 -176.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.486 ' O ' HG13 ' A' ' 862' ' ' ILE . 29.5 m -68.37 -46.19 70.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -63.87 -42.31 97.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.575 ' HB2' HG11 ' A' ' 837' ' ' VAL . . . -60.86 -36.5 79.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 177.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.26 99.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.386 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 858' ' ' SER . 14.9 mt -62.61 -42.66 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.413 177.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.5 OUTLIER -53.13 -50.26 64.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.409 178.249 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.72 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.653 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.96 -46.65 86.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.986 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.02 81.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.444 ' CG2' ' HA ' ' A' ' 830' ' ' ALA . 89.4 m -67.44 -39.36 85.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.28 -42.3 96.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -58.32 -43.41 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.22 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.486 ' HG2' HG22 ' A' ' 774' ' ' VAL . 0.0 OUTLIER -63.43 -49.01 75.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.081 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.551 HG11 ' N ' ' A' ' 872' ' ' GLU . 0.4 OUTLIER -64.08 -37.99 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.551 ' N ' HG11 ' A' ' 871' ' ' VAL . 0.0 OUTLIER -68.9 -41.71 77.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.669 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.82 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.114 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.064 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -28.21 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -75.87 -24.9 68.3 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.353 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -86.2 1.34 51.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.846 0.355 . . . . 0.0 111.087 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.599 ' HA ' ' HB3' ' A' ' 819' ' ' ALA . . . -78.75 83.6 4.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.006 0.431 . . . . 0.0 110.384 178.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -70.88 108.4 4.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.899 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -135.63 81.12 42.47 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -88.04 38.87 0.5 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.082 2.522 . . . . 0.0 112.471 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.67 10.91 23.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.92 76.54 4.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.148 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.05 -59.1 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.55 27.77 16.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.877 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -109.34 -32.29 7.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.81 58.42 0.69 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.693 175.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.448 ' H ' ' HG3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -105.65 -34.56 7.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.637 -177.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.851 -179.239 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -49.06 4.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.9 0.381 . . . . 0.0 110.165 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . 0.452 ' HB3' ' HG3' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -178.04 147.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.458 -178.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 8.0 tpp -85.11 71.88 10.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.168 0.509 . . . . 0.0 110.484 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' A' ' 753' ' ' HIS . 0.0 OUTLIER -107.21 -55.9 2.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.402 178.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -112.04 33.76 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.317 0.579 . . . . 0.0 110.217 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -139.05 28.88 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.276 -178.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.94 -4.89 18.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.34 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.26 -173.64 2.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.85 176.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -85.93 63.18 7.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.244 0.545 . . . . 0.0 110.489 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 65.87 46.46 82.14 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.234 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.94 -28.66 67.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.641 0.258 . . . . 0.0 111.684 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.61 HD13 ' HG2' ' A' ' 816' ' ' MET . 0.2 OUTLIER -62.13 -39.56 92.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.637 178.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 1.2 mp -84.34 -34.47 23.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.867 0.365 . . . . 0.0 110.377 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -62.21 -51.11 69.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.784 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -89.16 -66.91 1.25 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.522 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.8 -45.87 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.359 0.123 . . . . 0.0 111.256 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.43 60.29 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.589 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.55 74.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.767 0.318 . . . . 0.0 111.056 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.96 95.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.305 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 813' ' ' PHE . . . -63.41 -46.79 84.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.667 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 24.5 m -61.09 -29.99 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.33 83.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.329 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.587 HG23 ' HB2' ' A' ' 866' ' ' ALA . 68.6 t -71.65 -46.38 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' THR . . . . . 0.525 HG21 HD22 ' A' ' 806' ' ' LEU . 0.2 OUTLIER -56.38 -43.05 78.84 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.719 176.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.08 -49.29 70.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.85 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.11 99.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.458 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.694 HD13 HG22 ' A' ' 805' ' ' ILE . 1.3 tp -61.13 -48.08 83.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.7 -34.45 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.7 -54.67 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.207 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.434 HD11 HD11 ' A' ' 840' ' ' ILE . 1.6 tp -62.22 -40.12 95.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.69 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.3 -54.6 44.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.625 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -39.85 77.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.508 0.671 . . . . 0.0 110.214 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 855' ' ' LYS . 48.5 t60 -68.08 -45.01 74.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.252 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 25.6 t -68.94 -39.12 79.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.91 -178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -29.16 34.7 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -117.34 0.68 12.28 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -176.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 87.7 m-70 -144.49 40.73 1.32 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.437 -175.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -173.12 -67.83 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 O-C-N 123.473 0.483 . . . . 0.0 110.377 179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.49 107.88 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.265 -178.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . 0.669 ' H ' ' HB2' ' A' ' 795' ' ' ALA . . . 152.89 -55.25 0.44 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.742 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -161.37 150.27 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . 0.459 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . 78.23 -117.74 4.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.749 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.459 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 4.5 Cg_exo -76.13 54.17 4.08 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.253 2.635 . . . . 0.0 111.632 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.669 ' HB2' ' H ' ' A' ' 791' ' ' GLY . . . -87.82 32.78 0.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.713 -174.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -74.38 103.38 1.5 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.411 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.89 106.19 18.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.181 0.515 . . . . 0.0 109.858 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -80.77 57.16 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.529 -176.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -50.56 59.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.04 -175.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -35.13 54.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.974 -176.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -62.21 -51.08 69.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.457 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.593 ' HA ' HD12 ' A' ' 778' ' ' LEU . 1.8 p -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.885 0.374 . . . . 0.0 110.297 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -60.07 -50.36 74.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.984 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 62.0 m -59.07 -47.29 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.694 HG22 HD13 ' A' ' 778' ' ' LEU . 22.4 mt -60.31 -55.48 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 0.0 110.679 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.55 ' HB2' HD22 ' A' ' 778' ' ' LEU . 0.3 OUTLIER -55.79 -46.61 77.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.907 -179.318 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 93.6 m -63.3 -43.47 97.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.403 0.144 . . . . 0.0 111.099 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . 0.645 HG12 ' HB2' ' A' ' 829' ' ' LEU . 3.5 t -59.62 -47.34 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.307 . . . . 0.0 110.517 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' THR . . . . . 0.418 ' HA ' HD13 ' A' ' 812' ' ' ILE . 1.4 m -61.6 -41.95 98.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 177.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.11 -33.63 75.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.562 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.06 -40.18 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . 0.575 HG23 ' HE2' ' A' ' 870' ' ' MET . 3.2 mt -63.82 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.959 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 771' ' ' ALA . 6.7 m-85 -60.03 -42.13 93.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.824 177.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -33.9 52.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.929 -178.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.7 m -93.7 24.41 4.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' MET . . . . . 0.61 ' HG2' HD13 ' A' ' 763' ' ' LEU . 2.0 ttt -69.91 86.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 109.874 177.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.99 -30.65 0.44 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -98.58 96.94 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' ' 878' ' ' ALA . . . -61.36 -33.7 74.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.371 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -66.43 -49.1 58.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.873 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.86 -36.38 83.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.421 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.459 ' HG2' HG21 ' A' ' 812' ' ' ILE . 31.0 mtp -62.19 -51.38 68.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.757 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.22 -38.87 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 110.481 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -53.04 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.843 176.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . 0.667 ' HA ' HD13 ' A' ' 828' ' ' ILE . 29.8 mm-40 -73.36 -31.86 64.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -60.21 -36.0 76.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.412 . . . . 0.0 110.584 176.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -67.48 -38.42 84.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . 0.667 HD13 ' HA ' ' A' ' 825' ' ' GLN . 7.1 mt -66.45 -40.65 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 109.721 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.712 ' HG ' HG22 ' A' ' 867' ' ' THR . 14.0 tp -55.93 -48.97 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.601 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.6 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.87 -45.28 82.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.036 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.86 -54.04 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.935 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.61 -40.34 87.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.853 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 7.5 m -69.47 -39.46 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.407 -178.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 44.7 m -60.09 -40.37 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.757 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.2 -36.76 77.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.767 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.12 -51.78 59.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . 0.506 HG12 ' HE3' ' A' ' 841' ' ' LYS . 76.6 t -62.53 -42.85 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -178.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -61.09 -39.97 91.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.18 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 781' ' ' LEU . 12.0 mt -66.54 -41.05 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.681 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 3.1 mtmt -53.0 -47.54 68.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.196 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.5 -40.72 61.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.475 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -33.11 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.959 -174.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -77.44 -18.36 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.801 0.334 . . . . 0.0 111.142 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.27 61.47 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.13 0.49 . . . . 0.0 110.431 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 157.04 45.95 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.64 165.92 11.58 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.978 0.418 . . . . 0.0 110.456 -176.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -44.75 85.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.052 174.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -111.63 136.26 51.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.756 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.32 -26.5 35.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.282 -177.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.27 -42.22 62.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.014 0.435 . . . . 0.0 109.843 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -65.62 -40.05 92.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.606 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 10.5 p -64.93 -43.39 92.93 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -46.0 83.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.355 175.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.468 ' HB3' ' CE1' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.33 -40.89 68.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.669 0.747 . . . . 0.0 110.777 176.387 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 853' ' ' SER . 5.1 mt -64.0 -49.82 70.94 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.343 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.558 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.9 mt -75.65 -28.69 58.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.476 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 858' ' ' SER . . . . . 0.549 ' O ' HG13 ' A' ' 862' ' ' ILE . 67.2 m -59.84 -48.2 82.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . 0.529 ' HA ' HD13 ' A' ' 862' ' ' ILE . . . -62.64 -41.32 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.604 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . 0.424 ' HB2' HG11 ' A' ' 837' ' ' VAL . . . -62.69 -36.22 82.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.783 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -65.87 -39.45 90.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 858' ' ' SER . 13.5 mt -63.26 -41.82 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -56.07 19.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 177.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.29 98.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.549 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.0 -44.1 85.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . 0.587 ' HB2' HG23 ' A' ' 774' ' ' VAL . . . -64.35 -42.62 96.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 -178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.712 HG22 ' HG ' ' A' ' 829' ' ' LEU . 59.1 m -65.55 -33.16 75.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.581 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.29 -41.19 94.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 109.98 174.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -38.67 89.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.854 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.575 ' HE2' HG23 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -64.7 -48.74 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.961 178.385 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -62.59 -37.12 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.124 178.647 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.04 -37.77 66.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.69 -179.361 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.7 -46.8 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.805 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.1 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.999 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -46.95 59.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.28 -26.21 74.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.277 -175.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -99.36 3.78 46.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.729 0.299 . . . . 0.0 111.149 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.595 ' HB3' ' HB2' ' A' ' 819' ' ' ALA . . . -71.06 -22.65 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.69 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 54.27 -105.38 0.26 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.878 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.89 87.34 2.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.907 0.384 . . . . 0.0 110.604 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -83.21 49.42 3.0 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.97 2.447 . . . . 0.0 112.167 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -81.03 54.21 2.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.232 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 2.5 m -157.36 136.98 12.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.09 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.73 86.11 7.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.303 0.573 . . . . 0.0 110.622 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.01 64.4 2.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.37 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -72.49 162.06 29.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.286 -175.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . 0.476 ' HB3' ' H ' ' A' ' 888' ' ' GLN . 2.5 mp0 64.22 -127.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.503 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . 0.476 ' H ' ' HB3' ' A' ' 887' ' ' GLN . 24.8 mt-30 57.45 34.98 25.38 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.444 0.64 . . . . 0.0 110.476 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.399 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.59 102.71 9.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.919 0.39 . . . . 0.0 110.323 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -149.69 -39.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.982 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 9.9 tpt -89.19 67.45 7.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.253 0.549 . . . . 0.0 109.763 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -129.16 133.73 47.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.195 -176.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -114.9 20.38 15.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.483 0.658 . . . . 0.0 109.286 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -83.7 33.4 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.462 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.32 -20.05 59.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.385 0.612 . . . . 0.0 110.105 176.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' GLU . . . . . 0.52 ' HG3' ' H ' ' A' ' 760' ' ' ASP . 0.8 OUTLIER -159.09 169.77 23.51 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.137 178.122 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' ASP . . . . . 0.52 ' H ' ' HG3' ' A' ' 759' ' ' GLU . 5.4 t70 -52.21 -48.19 65.22 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.081 0.467 . . . . 0.0 110.517 176.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 173.78 154.95 11.18 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.959 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.77 -13.54 0.96 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.008 0.432 . . . . 0.0 110.385 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.466 ' HA ' HD13 ' A' ' 763' ' ' LEU . 1.3 mm? -69.28 -58.32 4.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.795 -177.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.74 -24.67 31.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.926 0.393 . . . . 0.0 110.299 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -54.73 27.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.574 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -91.14 -62.05 1.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.729 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.02 -41.4 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.543 0.211 . . . . 0.0 111.035 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -55.59 -52.66 46.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.091 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.78 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.804 0.335 . . . . 0.0 111.003 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.98 97.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.221 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 23.8 m -63.42 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.388 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.26 92.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.807 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 774' ' ' VAL . . . . . 0.443 ' CG2' ' HG3' ' A' ' 870' ' ' MET . 78.1 t -63.49 -47.51 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.625 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.8 m -56.46 -41.61 76.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.302 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.7 -42.04 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.295 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.83 97.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' LEU . . . . . 0.45 ' CD2' ' HG ' ' A' ' 806' ' ' LEU . 6.3 tp -62.29 -42.94 99.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.28 178.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.43 -35.79 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -45.54 93.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.459 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' LEU . . . . . 0.484 ' HG ' HG22 ' A' ' 785' ' ' VAL . 1.3 tp -70.91 -44.28 66.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.888 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 786' ' ' LYS . 1.4 mt -57.34 -48.42 79.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.102 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.28 -28.99 67.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.044 0.45 . . . . 0.0 110.534 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -76.44 -52.37 9.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.922 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.484 HG22 ' HG ' ' A' ' 781' ' ' LEU . 98.3 t -64.33 -31.16 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.634 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' LYS . . . . . 0.544 ' HG3' ' HD2' ' A' ' 797' ' ' ARG . 6.8 ttmt -57.1 -28.41 62.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.864 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -118.64 -24.61 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.761 0.315 . . . . 0.0 111.767 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' HIS . . . . . 0.483 ' HB3' ' OD1' ' A' ' 852' ' ' ASN . 92.9 m-70 -118.84 77.15 1.15 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.305 0.574 . . . . 0.0 111.246 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -167.84 103.98 0.49 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.941 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -37.72 16.27 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.528 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' GLY . . . . . 0.862 ' HA2' ' HB1' ' A' ' 795' ' ' ALA . . . 130.86 120.24 2.18 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 119.728 -1.225 . . . . 0.0 114.06 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -140.24 -39.51 0.44 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 169.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -107.58 -113.69 3.76 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' PRO . . . . . 0.421 ' HG2' ' HB2' ' A' ' 839' ' ' ALA . 22.9 Cg_exo -65.6 -43.21 10.61 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.697 2.264 . . . . 0.0 112.099 175.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ALA . . . . . 0.862 ' HB1' ' HA2' ' A' ' 791' ' ' GLY . . . 63.8 174.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.305 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 70.3 -83.79 0.34 Allowed Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.589 -0.732 . . . . 0.0 113.015 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' ARG . . . . . 0.544 ' HD2' ' HG3' ' A' ' 786' ' ' LYS . 3.1 mtp180 -160.09 155.84 25.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -117.13 57.99 0.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.6 -40.57 83.58 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.141 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' GLN . . . . . 0.424 ' NE2' ' HA ' ' A' ' 800' ' ' GLN . 0.9 OUTLIER -65.25 -37.03 85.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.363 . . . . 0.0 110.583 -179.041 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -68.04 -50.33 56.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.389 178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' THR . . . . . 0.444 HG22 ' HG ' ' A' ' 778' ' ' LEU . 1.5 p -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.68 -46.09 90.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 47.2 m -59.35 -46.15 89.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.779 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' ILE . . . . . 0.484 HD13 HD23 ' A' ' 836' ' ' LEU . 4.0 mt -64.34 -57.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.042 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' LEU . . . . . 0.45 ' HG ' ' CD2' ' A' ' 778' ' ' LEU . 1.8 mt -54.79 -44.03 73.39 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.354 0.409 . . . . 0.0 111.701 -175.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 30.0 m -59.4 -36.17 75.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 8.7 t -73.45 -47.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.975 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.11 99.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.399 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -38.91 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.719 175.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.56 -44.87 93.15 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.956 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 1.4 mt -58.91 -35.62 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -178.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -66.73 -44.33 81.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -32.54 69.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.59 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -96.21 14.45 24.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.992 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 3.5 ttm -59.12 116.94 4.18 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.0 -42.36 1.48 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.88 75.84 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' ALA . . . . . 0.564 ' CB ' ' HA ' ' A' ' 878' ' ' ALA . . . -56.92 -29.74 63.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.644 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 880' ' ' HIS . . . -61.83 -48.01 86.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.508 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.7 -39.15 77.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 110.01 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' MET . . . . . 0.522 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 22.7 mtp -56.04 -45.08 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.222 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' VAL . . . . . 0.453 HG12 ' HE2' ' A' ' 875' ' ' LYS . 56.9 t -63.61 -39.88 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.829 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -63.04 -48.16 79.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.054 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -43.03 98.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.087 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' ALA . . . . . 0.71 ' HB3' HG22 ' A' ' 871' ' ' VAL . . . -61.73 -33.34 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.184 178.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 827' ' ' ARG . 0.0 OUTLIER -65.7 -40.07 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.009 0.433 . . . . 0.0 110.089 177.237 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' ILE . . . . . . . . . . . . . 6.0 mt -65.96 -39.52 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.985 175.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' LEU . . . . . 0.617 ' HG ' HG21 ' A' ' 867' ' ' THR . 14.2 tp -57.29 -48.72 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.504 176.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' ALA . . . . . 0.603 ' HA ' HG23 ' A' ' 867' ' ' THR . . . -57.98 -39.99 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -51.66 57.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.912 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.78 86.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.805 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 -36.28 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -63.35 -34.58 78.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.105 0.478 . . . . 0.0 110.181 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.81 -37.37 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.299 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' LEU . . . . . 0.688 HD22 ' HG ' ' A' ' 863' ' ' LEU . 10.3 tp -64.17 -51.67 62.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.077 179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 80.5 t -61.93 -40.02 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.191 -176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.47 -32.77 74.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 111.119 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' ALA . . . . . 0.421 ' HB2' ' HG2' ' A' ' 794' ' ' PRO . . . -65.09 -47.66 76.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.326 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' ILE . . . . . 0.407 HD12 ' HG ' ' A' ' 836' ' ' LEU . 4.9 mt -65.93 -33.64 64.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.445 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' LYS . . . . . 0.446 ' HA ' HD23 ' A' ' 857' ' ' LEU . 0.0 OUTLIER -59.63 -45.71 91.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.67 177.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.61 -33.14 70.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.984 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' ASP . . . . . 0.405 ' OD2' ' HD2' ' A' ' 794' ' ' PRO . 0.3 OUTLIER -68.81 -49.03 61.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.57 178.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -69.36 -19.4 63.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.405 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.26 -35.63 77.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.444 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -125.43 39.55 2.04 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.045 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.78 154.46 41.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.821 0.343 . . . . 0.0 110.092 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 4.2 m -77.22 -28.97 53.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.993 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' ASP . . . . . 0.495 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 27.2 t70 -106.77 117.9 35.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.409 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -74.75 -16.68 60.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 0.0 110.73 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' GLU . . . . . 0.415 ' CD ' ' HZ1' ' A' ' 855' ' ' LYS . 0.1 OUTLIER -78.54 -45.14 22.57 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.637 173.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' ASN . . . . . 0.495 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 24.1 t30 -60.67 -37.39 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.556 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 77.5 p -57.29 -43.29 83.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 110.461 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -62.7 -43.27 99.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 855' ' ' LYS . . . . . 0.415 ' HZ1' ' CD ' ' A' ' 851' ' ' GLU . 10.4 mmtm -59.92 -45.36 92.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.684 0.754 . . . . 0.0 110.089 177.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.19 -49.78 74.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.52 -177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 857' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' A' ' 841' ' ' LYS . 4.3 mt -76.02 -25.06 55.35 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.709 -177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.8 m -64.58 -45.4 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.04 -38.84 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.34 -35.69 79.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.096 178.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.07 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.525 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 862' ' ' ILE . . . . . . . . . . . . . 10.5 mt -64.47 -37.86 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.005 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 863' ' ' LEU . . . . . 0.688 ' HG ' HD22 ' A' ' 836' ' ' LEU . 0.2 OUTLIER -54.27 -55.6 26.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.459 176.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -66.72 -41.58 87.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.614 -177.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.47 -50.71 66.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.4 75.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 867' ' ' THR . . . . . 0.617 HG21 ' HG ' ' A' ' 829' ' ' LEU . 58.9 m -65.46 -41.4 93.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 177.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.39 80.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.116 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -39.59 93.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.925 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 870' ' ' MET . . . . . 0.443 ' HG3' ' CG2' ' A' ' 774' ' ' VAL . 0.0 OUTLIER -58.81 -51.59 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.459 176.611 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 871' ' ' VAL . . . . . 0.71 HG22 ' HB3' ' A' ' 826' ' ' ALA . 0.5 OUTLIER -62.05 -39.64 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.923 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 872' ' ' GLU . . . . . 0.515 ' N ' HG12 ' A' ' 871' ' ' VAL . 3.6 tt0 -70.45 -47.56 60.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -177.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.63 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.601 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 874' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 870' ' ' MET . . . -64.24 -38.88 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.973 0.416 . . . . 0.0 110.835 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 875' ' ' LYS . . . . . 0.453 ' HE2' HG12 ' A' ' 823' ' ' VAL . 17.9 mttm -75.62 -28.08 58.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.51 -39.89 79.01 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.941 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -93.57 38.83 1.06 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.131 0.491 . . . . 0.0 110.794 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 878' ' ' ALA . . . . . 0.564 ' HA ' ' CB ' ' A' ' 819' ' ' ALA . . . -76.08 85.69 2.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.32 0.581 . . . . 0.0 111.193 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -85.41 -11.73 53.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.324 174.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 880' ' ' HIS . . . . . 0.503 ' HB3' ' H ' ' A' ' 820' ' ' GLY . 1.1 t-80 -121.63 92.14 48.64 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.755 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.57 135.76 66.63 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.636 2.224 . . . . 0.0 111.823 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.73 71.92 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.765 . . . . 0.0 110.31 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 68.5 m -135.85 23.34 3.34 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.403 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 884' ' ' GLU . . . . . 0.428 ' H ' ' HG2' ' A' ' 884' ' ' GLU . 0.0 OUTLIER -76.96 -39.93 48.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.461 -177.25 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 55.99 -101.64 0.13 Allowed 'General case' 0 C--O 1.232 0.152 0 O-C-N 123.717 0.636 . . . . 0.0 110.562 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.83 139.49 41.76 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 173.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -75.74 67.31 2.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.097 0.475 . . . . 0.0 111.149 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.94 138.03 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.167 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.499 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.32 -46.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -174.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -55.8 -46.4 83.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.398 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.1 80.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 111.369 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.47 94.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.968 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.0 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.545 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 78.2 m -57.35 -39.88 76.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.159 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.88 77.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.784 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 774' ' ' VAL . . . . . 0.485 ' HB ' HG21 ' A' ' 809' ' ' THR . 45.9 t -70.23 -48.72 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.821 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.12 71.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.055 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -70.05 -51.82 28.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.734 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -57.47 -41.89 81.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.193 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 802' ' ' THR . 1.2 tp -58.86 -48.24 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -67.23 -39.22 86.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.562 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.44 -53.2 61.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.267 0.556 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.459 HD21 HD11 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -65.81 -41.31 92.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.067 -178.556 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.745 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.8 mt . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.779 0.323 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.745 HG21 ' HG ' ' A' ' 782' ' ' LEU . 1.1 p -67.62 -39.98 84.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.8 -43.43 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.791 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 48.4 m -63.16 -41.0 99.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.595 HG23 ' CD1' ' A' ' 829' ' ' LEU . 64.4 mt -64.0 -58.56 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.62 -45.31 57.5 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.471 0.482 . . . . 0.0 111.442 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.5 m -57.9 -37.97 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.547 HG13 ' HB3' ' A' ' 825' ' ' GLN . 3.9 t -68.78 -49.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.485 HG21 ' HB ' ' A' ' 774' ' ' VAL . 0.3 OUTLIER -60.25 -42.91 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.45 -31.11 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.51 -38.07 89.72 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.1 0.476 . . . . 0.0 110.313 176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.49 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.9 mt -65.21 -34.62 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.025 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.23 -43.15 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.318 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -34.58 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.2 m -102.17 28.49 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.42 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.67 96.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 129.8 -9.44 6.07 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.517 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.78 -21.23 37.89 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.167 0.508 . . . . 0.0 110.796 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.0 -65.82 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.008 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.62 -51.92 55.7 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.844 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.15 -32.22 71.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.919 0.39 . . . . 0.0 110.692 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.49 ' HG2' HG23 ' A' ' 812' ' ' ILE . 45.9 mtp -64.49 -51.44 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.522 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 56.5 t -63.78 -38.42 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 3.9 tpt180 -57.36 -54.33 48.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.677 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.761 ' HA ' HD12 ' A' ' 828' ' ' ILE . 44.8 mm-40 -64.86 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.18 74.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -70.36 -32.55 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.592 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.9 mt -72.6 -39.71 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.698 ' HG ' HG23 ' A' ' 867' ' ' THR . 9.5 tp -53.41 -48.93 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.681 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.78 -43.48 80.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.28 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.734 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.94 -49.53 74.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.875 -176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -66.5 -40.18 89.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.2 m -62.0 -35.61 79.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -41.48 75.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.334 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.75 -51.85 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.486 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.673 HG13 ' HB1' ' A' ' 860' ' ' ALA . 79.8 t -59.58 -42.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.976 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.65 -38.48 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.074 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.89 93.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.519 HG23 HD22 ' A' ' 856' ' ' LEU . 9.2 mt -62.62 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.724 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 8.2 tttm . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.868 179.128 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.519 HD22 HG23 ' A' ' 840' ' ' ILE . 10.2 mt . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.262 0.553 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.78 -22.65 56.2 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.312 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 5.8 m -72.06 -46.22 57.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.658 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.673 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.34 -32.78 72.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 861' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 0.0 OUTLIER -62.05 -49.88 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.065 176.245 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 859' ' ' ALA . 3.8 mt -58.98 -39.69 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.23 -57.02 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.015 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.497 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -71.4 -38.0 71.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.318 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 865' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.4 OUTLIER -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.156 -178.38 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.33 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.777 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.698 HG23 ' HG ' ' A' ' 829' ' ' LEU . 79.7 m -65.13 -39.89 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.66 -39.84 95.35 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.384 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -33.64 74.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 177.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -49.0 65.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -31.38 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.41 0.624 . . . . 0.0 109.877 176.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 27.4 tt0 -66.53 -49.24 67.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.388 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.39 -43.14 74.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.592 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.09 79.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.238 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -77.09 -41.77 40.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 121.144 -0.55 . . . . 0.0 113.05 -176.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.64 -40.63 62.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.601 0.239 . . . . 0.0 111.396 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.91 -47.33 90.79 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.587 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.93 86.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.65 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.645 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 771' ' ' ALA . . . . . 0.436 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -62.77 -46.16 89.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.774 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.9 m -61.35 -29.16 69.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.91 93.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.46 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.64 -43.26 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.333 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 775' ' ' THR . . . . . 0.67 HG23 HD11 ' A' ' 806' ' ' LEU . 0.7 OUTLIER -54.55 -45.28 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.995 177.285 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -68.94 -44.85 72.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.077 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.43 97.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.244 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 806' ' ' LEU . 1.0 OUTLIER -63.4 -45.65 90.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.421 178.241 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -60.7 -41.61 95.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.391 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.59 -48.69 80.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.01 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.666 HD21 HD11 ' A' ' 840' ' ' ILE . 1.1 tp -65.68 -45.21 83.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.613 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 110.657 179.566 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -42.88 95.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.127 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.08 -44.42 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.972 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 90.9 m -59.09 -45.35 91.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.526 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 829' ' ' LEU . 34.6 mt -56.96 -58.0 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.709 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.67 HD11 HG23 ' A' ' 775' ' ' THR . 8.4 tp -59.95 -33.33 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.698 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.8 m -64.59 -42.61 95.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.637 HG11 ' HB2' ' A' ' 829' ' ' LEU . 19.1 t -64.15 -43.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.805 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.436 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -62.28 -40.3 95.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.264 178.359 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.73 -42.27 99.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.371 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.19 -42.26 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.17 -39.2 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.44 -45.37 91.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.065 0.459 . . . . 0.0 110.416 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -45.34 71.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.259 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.2 19.98 3.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.7 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.415 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.0 OUTLIER -60.91 105.84 0.51 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.246 0.546 . . . . 0.0 110.055 177.556 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.34 -38.45 1.8 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -175.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.72 86.05 7.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -54.67 -37.75 66.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.88 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.15 60.63 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.44 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.415 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 23.6 mtp -59.5 -49.98 75.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.9 -39.46 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.356 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -57.67 -52.6 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.781 ' HA ' HD12 ' A' ' 828' ' ' ILE . 45.3 mm-40 -62.54 -41.68 99.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.699 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.99 71.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.82 0.343 . . . . 0.0 111.405 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.46 -42.62 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.449 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 825' ' ' GLN . 5.3 mt -66.89 -36.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 176.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.637 ' HB2' HG11 ' A' ' 808' ' ' VAL . 12.8 tp -57.72 -49.05 77.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.291 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -61.41 -34.25 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.072 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.62 -49.58 31.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.19 86.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.677 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.429 ' HA ' HD11 ' A' ' 805' ' ' ILE . 6.6 m -64.83 -35.22 80.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.53 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.6 m -62.57 -41.22 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 110.436 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -38.87 84.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.132 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.45 -51.61 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.823 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -41.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.25 -44.83 95.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.658 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.11 87.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.666 HD11 HD21 ' A' ' 781' ' ' LEU . 3.6 mt -69.19 -40.0 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.672 178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.437 ' HD3' HD22 ' A' ' 857' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.605 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 121.362 0.601 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.437 HD22 ' HD3' ' A' ' 841' ' ' LYS . 1.1 mt -75.84 -25.85 56.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.205 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.454 ' O ' HG13 ' A' ' 862' ' ' ILE . 68.4 m -70.21 -42.25 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -65.39 -43.29 91.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 176.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.35 72.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.757 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -33.64 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 859' ' ' ALA . 10.5 mt -71.51 -37.81 65.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.76 -53.67 48.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 176.597 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.48 90.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.031 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.55 -56.66 18.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.957 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.9 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.575 HG23 ' HG ' ' A' ' 829' ' ' LEU . 85.6 m -64.74 -42.91 94.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.11 -38.24 90.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.534 177.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -40.6 95.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.791 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -48.46 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.072 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.1 mm-40 -75.93 -36.08 59.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.32 -49.4 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.19 93.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -69.72 -39.76 76.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.449 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 5.8 t -64.02 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.49 0.186 . . . . 0.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -59.06 -47.5 90.49 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.498 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.07 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.91 61.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.74 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 95.5 m -59.4 -40.13 85.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.894 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.12 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.11 -47.16 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.4 m -56.89 -43.68 81.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.54 -27.14 45.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.66 77.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 802' ' ' THR . 4.4 tp -63.86 -44.24 93.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.271 175.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -57.84 -45.25 86.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.353 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -58.78 -45.83 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.637 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.687 HD11 HD13 ' A' ' 840' ' ' ILE . 1.2 tp -62.39 -49.52 75.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.586 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 801' ' ' ALA . . . . . 0.456 ' O ' HD12 ' A' ' 805' ' ' ILE . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.641 0.258 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.566 ' HA ' HD11 ' A' ' 778' ' ' LEU . 12.8 p -64.0 -38.77 92.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.97 -48.2 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.65 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 23.6 m -59.15 -45.82 89.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 801' ' ' ALA . 2.8 mt -60.58 -52.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.678 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.71 -52.78 63.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.068 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.7 m -58.02 -43.66 86.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.313 0.383 . . . . 0.0 110.784 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.495 HG13 ' HB3' ' A' ' 825' ' ' GLN . 2.2 t -65.43 -50.29 73.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.067 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 812' ' ' ILE . 3.1 m -66.39 -39.19 88.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.774 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.13 -29.75 69.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.981 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -68.4 -33.55 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.0 mt -66.05 -32.36 57.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 0.0 110.574 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -66.13 -29.11 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -36.85 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.622 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 25.2 p -77.95 -5.89 52.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.451 -177.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.512 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.0 mtt -50.09 112.38 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.281 0.562 . . . . 0.0 110.667 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.9 -34.9 2.87 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -104.59 95.12 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.57 73.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.87 -175.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.88 -50.37 66.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.91 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -68.81 -35.97 77.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 24.3 mtp -61.19 -45.73 93.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.4 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.149 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.07 20.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.454 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.812 ' HA ' HD12 ' A' ' 828' ' ' ILE . 83.7 mm-40 -63.46 -41.17 98.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.49 -37.28 72.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 827' ' ' ARG . 8.8 mtp180 -64.72 -43.16 94.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.659 177.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 825' ' ' GLN . 5.9 mt -68.25 -33.9 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.476 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.634 ' HG ' HG23 ' A' ' 867' ' ' THR . 8.4 tp -57.54 -48.79 78.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.107 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.9 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.557 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -43.23 89.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.014 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.68 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.586 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.9 m -64.93 -35.91 82.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 46.2 m -63.89 -27.91 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.292 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.06 -46.07 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.256 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.67 -51.8 68.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.289 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.81 -40.68 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.87 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -67.63 -37.82 83.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.828 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.94 67.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 781' ' ' LEU . 18.6 mt -64.3 -39.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.761 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 21.2 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.412 ' HB3' ' CG2' ' A' ' 840' ' ' ILE . 87.6 mt . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 121.349 0.595 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 7.4 mt -75.41 -29.23 59.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.545 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.8 -35.62 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.408 . . . . 0.0 110.384 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.21 77.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.273 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.56 -28.34 69.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.923 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -44.48 96.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.536 HG13 ' H ' ' A' ' 862' ' ' ILE . 0.6 OUTLIER -66.37 -36.96 78.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.164 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.7 OUTLIER -54.95 -51.86 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.223 177.387 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.8 82.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.299 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.57 -46.95 87.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.379 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.793 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.634 HG23 ' HG ' ' A' ' 829' ' ' LEU . 93.5 m -64.42 -39.98 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.865 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.25 -39.61 95.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.223 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.68 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.31 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.496 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.773 178.569 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -36.56 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.233 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 3.7 tt0 -66.64 -45.46 78.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.586 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.18 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.507 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.83 98.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -74.58 -34.85 62.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.442 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.348 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.752 0 N-CA-C 112.325 -0.31 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 767' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 767' ' ' VAL . 2.2 t -61.48 -51.37 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -174.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -53.75 -49.66 57.21 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.746 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.45 82.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.261 . . . . 0.0 111.433 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.39 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.131 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.21 99.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.016 0.436 . . . . 0.0 110.657 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 16.9 m -63.54 -37.45 87.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.461 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.46 98.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.06 -46.72 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.482 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 8.0 m -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.085 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.82 -41.85 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.02 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.57 89.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.809 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 802' ' ' THR . 6.3 tp -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.541 178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.62 -43.42 89.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.529 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -52.31 66.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.687 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 840' ' ' ILE . 1.5 tp -62.83 -38.18 89.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.3 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.9 mt . . . . . 0 C--N 1.328 -0.365 0 O-C-N 123.084 0.24 . . . . 0.0 111.48 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.696 0.284 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.525 ' HA ' HD11 ' A' ' 778' ' ' LEU . 23.2 p -66.49 -38.25 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.468 . . . . 0.0 110.584 -178.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.81 -45.54 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.991 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 89.4 m -61.33 -47.8 84.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.5 mt -59.87 -56.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.099 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.19 -52.55 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.253 -178.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 20.9 m -57.91 -42.97 85.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.221 0.326 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 2.1 t -65.08 -51.62 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.18 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.758 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.0 OUTLIER -63.32 -41.33 98.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 110.792 -178.785 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 22.1 tp10 -66.44 -29.67 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.202 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 27.7 m-20 -64.88 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.581 177.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.1 mt -62.53 -33.34 59.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.655 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 813' ' ' PHE . . . . . 0.427 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 41.7 m-85 -66.27 -37.4 85.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.547 177.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.32 -32.54 55.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.48 19.83 18.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.391 -176.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.569 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 ttm -64.77 98.86 0.29 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.36 -29.74 2.14 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -92.23 106.18 18.24 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -57.93 -47.52 82.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.638 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -65.24 -45.59 90.61 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.569 -175.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.6 tp10 -66.35 -43.08 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.492 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.645 ' HG2' HG23 ' A' ' 812' ' ' ILE . 12.5 mtp -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.18 -38.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.192 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -56.42 -54.87 40.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.674 ' HA ' HD12 ' A' ' 828' ' ' ILE . 69.9 mm-40 -62.35 -42.19 99.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.54 70.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.98 -45.69 76.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.4 mt -65.2 -33.26 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.469 177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.622 ' HG ' HG23 ' A' ' 867' ' ' THR . 5.8 tp -60.07 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.328 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.408 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -60.54 -38.27 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.661 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -64.99 -49.34 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.83 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.92 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.104 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.0 m -65.17 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 56.2 m -61.31 -40.95 96.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.58 -40.67 69.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.15 -51.73 68.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' A' ' 860' ' ' ALA . 79.3 t -65.84 -36.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.581 -177.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -61.29 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.7 89.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.587 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.525 HD11 HD21 ' A' ' 781' ' ' LEU . 10.8 mt -61.69 -41.69 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.514 HD22 HG23 ' A' ' 840' ' ' ILE . 3.5 mt . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.317 0.58 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.72 -25.5 56.66 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.872 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.431 ' O ' HG13 ' A' ' 862' ' ' ILE . 46.5 m -72.0 -41.12 67.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 175.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.8 -42.14 97.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.183 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.601 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.79 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.94 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -63.23 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.15 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.2 mt -63.5 -41.98 94.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.119 176.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -53.36 -56.79 13.87 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.914 177.806 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -64.75 -47.22 78.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.555 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.05 -45.34 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.459 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.16 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.447 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.622 HG23 ' HG ' ' A' ' 829' ' ' LEU . 95.0 m -66.19 -43.6 86.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.01 -40.56 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 110.39 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -64.43 -35.04 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.195 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.483 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -67.58 -48.95 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.687 177.723 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -39.04 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.406 . . . . 0.0 110.244 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.9 OUTLIER -68.6 -37.3 79.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.704 179.692 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -71.2 -51.0 27.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.25 89.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -73.7 -25.6 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.047 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 -179.707 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.46 -43.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.51 0.195 . . . . 0.0 111.234 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.07 -48.01 85.55 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.678 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.52 -40.11 85.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.719 0.295 . . . . 0.0 111.07 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.03 75.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.25 82.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 14.8 m -63.85 -32.11 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.009 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.56 96.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.461 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.99 -41.09 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.3 m -59.26 -48.85 80.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -67.75 -42.06 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 777' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 780' ' ' GLU . . . -63.14 -41.14 99.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.576 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.771 HD22 ' HG ' ' A' ' 806' ' ' LEU . 1.1 tp -64.49 -45.43 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.769 0.319 . . . . 0.0 110.388 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.47 -33.59 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 780' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 777' ' ' ALA . 10.0 mm-40 -58.93 -53.01 63.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.999 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -63.58 -46.99 83.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.16 -178.269 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.711 -176.6 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 801' ' ' ALA . . . . . 0.449 ' O ' HD12 ' A' ' 805' ' ' ILE . . . . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.564 0.221 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.459 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.1 p -61.67 -37.19 83.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.261 0.553 . . . . 0.0 110.056 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.88 -46.01 91.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.667 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 12.0 m -59.25 -45.61 90.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.995 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 829' ' ' LEU . 1.4 mt -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.252 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' A' ' 778' ' ' LEU . 5.4 mt -58.17 -46.23 86.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.887 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.8 m -58.0 -48.34 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.284 . . . . 0.0 110.767 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 829' ' ' LEU . 17.1 t -62.37 -53.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.396 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.69 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.1 m -61.27 -37.14 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 810' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 5.1 tt0 -68.59 -33.95 74.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.275 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.01 -30.99 72.02 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.763 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -69.51 -26.85 32.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 813' ' ' PHE . . . . . 0.424 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 51.1 m-85 -70.42 -34.53 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.196 0.522 . . . . 0.0 109.865 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -32.2 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.857 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.61 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 54.6 p -90.87 -7.44 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.568 -176.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.645 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.1 ttt -53.13 114.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 111.054 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.26 -25.0 6.44 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.0 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -107.79 98.39 7.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -53.52 -43.76 68.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.976 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.73 -50.89 60.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.127 -0.558 . . . . 0.0 113.344 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 5.4 tp10 -70.76 -40.02 72.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.913 0.356 . . . . 0.0 110.914 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 19.3 mtp -57.72 -44.31 85.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.74 -40.79 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.472 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.0 OUTLIER -58.35 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.734 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.817 ' HA ' HD12 ' A' ' 828' ' ' ILE . 74.6 mm-40 -63.02 -41.6 99.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.13 -37.03 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -64.26 -43.52 94.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.528 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.2 mt -66.65 -38.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.379 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.658 ' HG ' HG23 ' A' ' 867' ' ' THR . 6.2 tp -57.52 -49.02 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.534 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.05 -38.5 76.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.256 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -71.65 -49.27 41.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.77 80.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.82 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 837' ' ' VAL . 9.4 m -62.58 -38.16 89.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -41.09 87.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.587 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 805' ' ' ILE . 12.1 tp -60.55 -51.67 68.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.144 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.674 HG13 ' HB1' ' A' ' 860' ' ' ALA . 94.9 t -61.83 -43.16 96.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.932 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -63.57 -38.51 91.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.01 -49.31 77.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.886 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 781' ' ' LEU . 7.2 mt -65.41 -42.38 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.685 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.823 178.832 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 CA--C 1.517 -0.321 0 CA-C-O 121.519 0.676 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.77 -26.22 57.17 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.02 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 862' ' ' ILE . 42.5 m -75.12 -41.53 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.423 177.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.445 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -64.77 -42.43 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 177.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.674 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.78 -32.11 73.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -63.66 -41.14 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.693 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 859' ' ' ALA . 9.4 mt -64.42 -37.66 80.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.224 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.488 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.5 OUTLIER -53.87 -54.57 36.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.467 177.739 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.54 79.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.222 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.71 -46.39 87.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.96 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.658 HG23 ' HG ' ' A' ' 829' ' ' LEU . 77.9 m -65.53 -39.11 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.203 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.17 98.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.6 81.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.21 177.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.545 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -63.99 -49.37 72.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 176.816 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.429 HG22 ' HE3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -65.12 -33.51 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.474 178.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.54 -44.96 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.531 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.33 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.307 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.34 87.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.429 ' HE3' HG22 ' A' ' 871' ' ' VAL . 30.7 mttt -73.06 -37.63 66.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.943 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.39 -178.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.31 -0.316 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.93 -40.54 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.527 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.55 65.59 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.4 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.61 95.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 770' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -65.25 -47.94 75.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.364 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.39 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 50.3 m -62.66 -40.61 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.445 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.36 95.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.45 -49.94 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.9 m -58.44 -40.06 81.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.902 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -70.6 -45.95 64.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.59 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.11 0.481 . . . . 0.0 110.671 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.707 HD11 ' HA ' ' A' ' 802' ' ' THR . 5.0 tp -63.16 -44.31 95.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.426 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.1 -37.64 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.95 -47.29 85.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.25 0.548 . . . . 0.0 110.358 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -67.63 -39.12 84.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.404 177.855 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 782' ' ' LEU . 8.4 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.472 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.451 0.167 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.707 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.201 0.524 . . . . 0.0 110.565 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.03 -50.29 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.891 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.0 m -61.16 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.499 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 829' ' ' LEU . 6.5 mt -58.54 -51.41 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.589 0.233 . . . . 0.0 111.05 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -51.4 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.9 m -61.2 -42.2 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.403 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.23 -52.16 63.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.74 0.305 . . . . 0.0 110.987 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.719 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.2 m -63.02 -39.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -40.36 86.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.294 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -63.45 -37.84 88.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 809' ' ' THR . 5.2 mt -61.06 -38.39 79.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 110.408 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -62.54 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -28.9 64.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.543 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -103.98 22.66 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.417 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.9 ttm -63.09 102.37 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 136.27 -33.41 2.37 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -176.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -87.76 87.33 7.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -53.35 -42.86 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.896 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.95 -44.7 96.92 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.578 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.04 -40.95 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.386 . . . . 0.0 110.545 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.417 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 22.8 mtp -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.11 -41.24 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.362 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -54.74 40.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.54 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.666 ' HA ' HD12 ' A' ' 828' ' ' ILE . 56.4 mm-40 -63.84 -40.54 96.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.662 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.81 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -62.82 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.396 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 825' ' ' GLN . 16.7 mt -67.5 -42.97 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 176.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.603 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.9 tp -54.76 -48.82 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.149 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.85 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.88 -43.79 78.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.5 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.634 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.32 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.3 m -59.62 -38.2 80.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.11 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -42.78 78.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.32 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.471 HD23 ' HG ' ' A' ' 863' ' ' LEU . 24.9 tp -61.16 -52.16 66.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.489 HG13 ' HB1' ' A' ' 860' ' ' ALA . 87.8 t -63.61 -43.66 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.032 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.736 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.53 69.23 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.561 HD13 HD11 ' A' ' 781' ' ' LEU . 47.8 mt -61.68 -45.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.167 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 121.121 0.486 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.5 mt -69.62 -30.26 67.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.996 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.1 m -72.04 -42.51 66.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.59 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.69 -39.29 93.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.369 176.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.489 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.91 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.247 176.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 859' ' ' ALA . 6.4 mt -68.15 -42.17 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.816 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.501 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -52.48 -54.62 29.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.666 177.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.49 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.221 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.8 75.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.123 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.603 HG23 ' HG ' ' A' ' 829' ' ' LEU . 91.6 m -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.347 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.1 94.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -59.23 -41.89 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.971 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.579 ' HA ' ' HB1' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -61.71 -50.91 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.91 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -36.82 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.642 -178.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.73 -39.7 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.628 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.16 -48.53 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.093 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.54 94.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.236 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -69.59 -37.98 77.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.71 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.462 -179.746 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 5.1 t -57.23 -49.22 80.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.561 0.219 . . . . 0.0 111.335 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.86 -48.89 75.0 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.732 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.81 80.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.667 0.27 . . . . 0.0 111.196 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.64 94.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.291 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.72 95.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 110.608 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -38.37 90.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.599 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.1 93.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.935 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.33 -46.91 91.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 110.426 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.4 m -58.33 -40.79 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.928 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -44.78 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.48 89.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.604 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.611 HD11 ' HA ' ' A' ' 802' ' ' THR . 5.4 tp -64.14 -48.33 76.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.516 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -60.13 -40.56 90.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.62 -55.42 35.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.478 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.448 HD11 HD13 ' A' ' 840' ' ' ILE . 0.8 OUTLIER -61.64 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.586 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.7 mt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.598 0.237 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.611 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.7 OUTLIER -63.34 -42.33 98.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -177.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.74 -48.09 83.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.787 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 32.4 m -60.11 -47.53 85.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.482 HG21 HD13 ' A' ' 778' ' ' LEU . 6.1 mt -57.97 -53.14 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.742 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.38 -52.76 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.181 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.6 m -57.93 -42.81 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.121 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 10.1 t -68.54 -48.38 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.326 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.683 ' HA ' HD12 ' A' ' 812' ' ' ILE . 2.1 m -65.36 -39.57 92.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.063 0.459 . . . . 0.0 110.72 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -30.71 70.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 176.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.8 -34.58 78.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.945 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -66.21 -29.89 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.597 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.34 -39.46 93.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.12 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -27.33 53.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.646 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 23.7 p -94.15 -1.2 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.528 -176.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.496 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.7 ttm -59.62 101.19 0.1 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.247 0.546 . . . . 0.0 110.453 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 140.67 -40.35 1.38 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -100.07 85.56 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.664 ' HA ' ' HB2' ' A' ' 822' ' ' MET . . . -62.26 -25.59 67.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.927 -173.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.81 98.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.495 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.419 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 18.8 tp10 -72.52 -34.18 67.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.664 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 32.1 mtp -59.94 -51.26 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.99 -37.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.299 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.506 ' HD3' HD11 ' A' ' 828' ' ' ILE . 0.4 OUTLIER -57.88 -52.57 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.135 175.576 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 1.032 ' HA ' HD12 ' A' ' 828' ' ' ILE . 53.8 mm-40 -63.06 -42.25 99.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.458 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -56.69 -37.6 71.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.021 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -42.49 99.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.466 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 1.032 HD12 ' HA ' ' A' ' 825' ' ' GLN . 4.2 mt -66.77 -40.43 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.174 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.581 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.5 tp -56.84 -48.94 76.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.188 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.474 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.63 -44.17 80.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -68.33 -41.13 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.1 86.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.334 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.1 m -66.14 -33.34 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.184 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -43.4 91.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.8 -46.32 82.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.394 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.65 -52.02 66.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.758 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.591 HG13 ' HB1' ' A' ' 860' ' ' ALA . 86.0 t -66.22 -37.42 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.653 0.263 . . . . 0.0 110.971 -175.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -70.16 -35.69 74.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.06 95.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 837' ' ' VAL . 14.0 mt -65.77 -41.41 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.59 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 41.9 tttm . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.99 179.366 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 840' ' ' ILE . 93.5 mt . . . . . 0 N--CA 1.441 -0.881 0 CA-C-O 121.13 0.491 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 8.3 mt -71.31 -31.09 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.044 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.7 m -64.0 -39.55 94.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.525 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.95 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.591 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.4 -27.61 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.83 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.83 99.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.202 176.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.471 ' H ' HG13 ' A' ' 862' ' ' ILE . 2.8 mt -66.83 -41.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.865 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -52.52 -53.8 41.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.404 176.723 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.666 -177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.38 -45.77 91.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.96 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.3 87.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.435 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.581 HG23 ' HG ' ' A' ' 829' ' ' LEU . 82.1 m -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.53 -46.49 85.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -43.43 92.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.115 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.475 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -61.53 -52.17 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.818 178.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.4 HG13 ' HD2' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -62.6 -38.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.164 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.9 mm-40 -74.88 -33.47 62.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.981 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.44 -44.14 68.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.826 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.4 ' HD2' HG13 ' A' ' 871' ' ' VAL . 9.5 mttt -69.67 -42.39 74.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.509 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.9 179.276 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.6 t -62.92 -40.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.662 0.268 . . . . 0.0 110.79 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.16 -47.54 86.82 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.545 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.83 75.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.313 . . . . 0.0 110.849 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.47 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 771' ' ' ALA . . . . . 0.439 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -62.77 -44.72 95.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.7 m -63.94 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.306 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 33.2 t -65.13 -43.77 95.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.214 176.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 2.5 m -55.8 -45.28 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.743 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 776' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 780' ' ' GLU . 3.5 mm100 -66.39 -50.12 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.931 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 777' ' ' ALA . . . . . 0.426 ' HB1' HD22 ' A' ' 863' ' ' LEU . . . -57.25 -43.9 83.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.559 HD13 HG21 ' A' ' 805' ' ' ILE . 3.9 tp -64.25 -41.89 96.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.48 -41.01 93.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 780' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 70.2 mm-40 -63.24 -45.8 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.655 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.776 HD11 HD13 ' A' ' 840' ' ' ILE . 4.2 tp -61.35 -40.52 94.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.095 -175.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 782' ' ' LEU . 7.0 mt . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.134 -177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.655 0.264 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.418 ' O ' HD21 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -62.86 -40.58 97.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 0.0 110.32 178.222 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.46 -42.22 95.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.723 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 20.9 m -59.46 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.619 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.559 HG21 HD13 ' A' ' 778' ' ' LEU . 3.3 mt -57.71 -52.06 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.856 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 778' ' ' LEU . 1.9 mt -54.05 -47.99 71.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.5 m -61.13 -40.13 92.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 25.1 t -66.4 -47.54 83.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.8 m -62.35 -42.11 99.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 0.0 110.615 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.53 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.293 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.602 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 3.9 m-20 -61.79 -43.74 98.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.273 175.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -61.07 -42.13 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -59.77 -38.17 81.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.153 0.501 . . . . 0.0 110.509 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 6.5 m -83.65 -1.82 54.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.409 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.7 m -127.76 26.27 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.953 0.406 . . . . 0.0 110.549 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.69 108.85 1.52 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.757 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.3 -10.24 22.27 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.123 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.28 -31.82 58.47 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.145 0.498 . . . . 0.0 110.564 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.58 -62.61 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.754 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.31 -49.98 72.65 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.403 -0.427 . . . . 0.0 112.966 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.526 ' OE1' ' HD2' ' A' ' 824' ' ' ARG . 6.5 tp10 -64.99 -34.79 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.052 0.453 . . . . 0.0 110.221 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 51.1 mtp -62.85 -47.36 83.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.23 -39.7 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.263 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.668 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 0.1 OUTLIER -55.37 -51.44 66.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.309 175.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 1.024 ' HA ' HD12 ' A' ' 828' ' ' ILE . 55.5 mm-40 -64.79 -39.49 93.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.86 -33.53 70.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.668 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 11.3 mtt180 -64.11 -46.46 84.11 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.126 175.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 1.024 HD12 ' HA ' ' A' ' 825' ' ' GLN . 3.1 mt -63.24 -43.19 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.273 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.607 ' HG ' HG23 ' A' ' 867' ' ' THR . 13.3 tp -58.37 -48.93 79.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.5 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.85 83.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -60.89 -49.14 78.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.141 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.86 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.722 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 8.8 m -66.29 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.0 m -59.8 -42.12 92.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.091 0.472 . . . . 0.0 109.978 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.87 -42.63 66.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.244 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.69 -51.81 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.129 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.635 HG13 ' HB1' ' A' ' 860' ' ' ALA . 64.4 t -61.58 -42.74 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.772 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.63 -36.95 85.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.79 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.776 HD13 HD11 ' A' ' 781' ' ' LEU . 4.7 mt -63.4 -35.99 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.449 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 CA--C 1.515 -0.377 0 CA-C-O 121.356 0.598 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.508 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.2 mt -75.87 -22.69 55.92 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.138 -177.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 862' ' ' ILE . 11.8 m -67.29 -36.33 81.32 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 173.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.673 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -72.14 -38.54 69.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.197 175.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.635 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.34 -33.78 75.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.512 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -64.04 -39.54 94.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.39 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 859' ' ' ALA . 9.7 mt -66.92 -40.42 85.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.993 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 781' ' ' LEU . 0.3 OUTLIER -52.72 -53.35 49.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 176.493 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.02 83.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.344 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.29 -48.65 80.83 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.248 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.85 88.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.879 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.607 HG23 ' HG ' ' A' ' 829' ' ' LEU . 86.2 m -66.15 -38.28 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.935 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.51 -43.15 91.02 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.199 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -33.8 76.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.085 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.439 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -66.07 -50.68 63.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.414 176.456 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -38.89 81.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.324 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 2.1 tt0 -68.52 -37.74 80.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.81 -44.95 65.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.086 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.89 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.391 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -77.84 -32.29 52.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.282 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.515 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.41 -44.71 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.552 0.215 . . . . 0.0 111.493 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.37 -54.7 35.52 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.559 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.77 0.319 . . . . 0.0 111.109 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.54 89.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.17 86.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 5.4 m -61.89 -35.15 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.8 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 774' ' ' VAL . . . . . 0.507 HG21 ' HG3' ' A' ' 870' ' ' MET . 41.3 t -63.91 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 775' ' ' THR . . . . . 0.67 HG23 HD21 ' A' ' 806' ' ' LEU . 1.4 m -57.93 -44.79 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -69.22 -48.37 62.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.061 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.18 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.583 HD13 HG21 ' A' ' 805' ' ' ILE . 6.5 tp -61.45 -48.24 82.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.827 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.9 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.77 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.16 -57.7 7.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 110.644 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.464 HD21 HD11 ' A' ' 840' ' ' ILE . 1.0 OUTLIER -59.96 -38.7 83.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.359 -176.521 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.327 -0.393 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.294 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.647 0.26 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 778' ' ' LEU . 22.0 p -66.15 -35.01 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.959 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.4 -47.12 86.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.041 0.448 . . . . 0.0 109.997 175.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 7.5 m -59.98 -45.22 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.697 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 778' ' ' LEU . 9.9 mt -60.34 -55.77 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.67 HD21 HG23 ' A' ' 775' ' ' THR . 1.3 mt -56.17 -43.29 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 37.7 m -62.08 -38.12 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 110.269 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.579 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.3 t -62.03 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.445 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -43.26 95.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.062 0.458 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.51 -37.33 83.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.174 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -61.37 -48.53 80.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.785 HG21 ' HE1' ' A' ' 870' ' ' MET . 4.9 mt -61.54 -40.92 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.738 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -59.56 -43.89 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 9.7 m -74.92 -36.34 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.6 m -96.85 21.9 8.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.417 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 4.9 ttm -65.3 104.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.393 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.55 -25.32 4.02 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.935 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -74.0 -28.46 61.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.242 0.544 . . . . 0.0 110.366 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 823' ' ' VAL . . . 70.69 -60.8 0.49 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.424 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.08 -52.88 50.74 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.722 -177.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.22 -34.55 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.062 0.458 . . . . 0.0 110.078 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.463 ' HG2' HG23 ' A' ' 812' ' ' ILE . 33.8 mtp -62.08 -51.49 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.366 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.441 ' O ' ' HD3' ' A' ' 827' ' ' ARG . 95.4 t -62.59 -41.02 90.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -54.98 -53.87 50.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.686 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.771 ' HA ' HD12 ' A' ' 828' ' ' ILE . 68.8 mm-40 -63.55 -39.13 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.15 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.016 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 823' ' ' VAL . 3.5 mpp_? -66.6 -41.27 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.7 mt -69.41 -35.28 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.152 177.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.579 ' HB2' HG11 ' A' ' 808' ' ' VAL . 8.8 tp -57.11 -48.54 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.208 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.436 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -58.95 -36.91 75.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.15 -54.2 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.883 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.71 89.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.086 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 34.1 m -62.02 -37.47 85.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 39.2 m -62.95 -36.9 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.579 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.28 -40.5 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.099 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.44 -52.0 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.789 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.866 ' HA ' HD12 ' A' ' 840' ' ' ILE . 55.8 t -62.42 -33.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.799 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.96 -46.18 88.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.867 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 837' ' ' VAL . 5.4 mt -65.77 -44.37 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.022 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.449 -0.489 0 CA-C-O 121.526 0.679 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -31.9 59.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.934 -175.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 862' ' ' ILE . 52.7 m -66.05 -40.73 91.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.7 -41.32 98.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.082 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.477 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.55 -34.43 76.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.869 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -64.66 -39.97 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.242 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 859' ' ' ALA . 17.4 mt -65.08 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.53 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -54.49 -50.36 67.97 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.281 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.48 81.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.71 -50.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.044 0.449 . . . . 0.0 110.843 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.3 86.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.572 HG23 ' HG ' ' A' ' 829' ' ' LEU . 97.6 m -62.18 -42.76 99.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.96 99.57 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -41.2 96.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.087 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.785 ' HE1' HG21 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -62.35 -51.36 67.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.81 179.099 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -38.08 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.14 -49.49 67.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.753 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -43.64 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.44 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.91 90.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.054 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -30.42 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.733 -177.734 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.601 -0.2 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.27 -39.23 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.733 0.302 . . . . 0.0 110.665 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -60.23 -53.44 45.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.495 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.73 99.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 111.01 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 770' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.1 -45.31 81.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.284 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.97 91.21 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.026 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 89.6 m -61.65 -37.46 84.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.66 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.445 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.13 -44.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.401 . . . . 0.0 110.472 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 775' ' ' THR . . . . . 0.428 HG23 HD21 ' A' ' 806' ' ' LEU . 18.9 m -57.16 -42.24 80.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.99 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.38 -45.44 87.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.08 98.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.737 HD22 ' HG ' ' A' ' 806' ' ' LEU . 0.5 OUTLIER -62.02 -45.55 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.016 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -58.58 -37.87 76.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.3 -54.2 36.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.843 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -64.1 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.156 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 782' ' ' LEU . 4.6 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 110.535 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.705 0.288 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.46 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.6 OUTLIER -62.93 -39.73 95.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.568 178.293 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.41 -47.26 86.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.506 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.3 m -59.25 -45.42 91.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' A' ' 829' ' ' LEU . 20.2 mt -60.76 -53.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.945 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.737 ' HG ' HD22 ' A' ' 778' ' ' LEU . 0.1 OUTLIER -54.37 -46.49 73.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.5 m -61.95 -46.21 90.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 825' ' ' GLN . 2.6 t -57.97 -48.28 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.502 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.3 m -63.16 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.846 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.28 -41.44 98.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.157 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.85 -37.6 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.554 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.9 mt -64.96 -36.52 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.97 -47.4 86.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 110.453 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -35.82 80.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.319 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.0 m -98.52 22.56 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 9.5 ttm -67.09 96.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 0.0 110.456 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.16 -5.52 7.28 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.89 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.26 -22.62 30.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.229 0.538 . . . . 0.0 110.182 176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 67.69 -65.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.438 -1.256 . . . . 0.0 112.102 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.9 62.29 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.546 -0.359 . . . . 0.0 112.888 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -61.09 -38.79 87.52 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 40.0 mtp -60.5 -51.51 69.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.788 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.17 -39.1 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -54.76 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.555 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.624 ' HA ' HD12 ' A' ' 828' ' ' ILE . 50.4 mm-40 -63.38 -40.21 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.87 77.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.29 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -64.9 -42.14 95.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.957 0.408 . . . . 0.0 110.435 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.0 mt -68.12 -37.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.085 175.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.593 ' HB2' HG11 ' A' ' 808' ' ' VAL . 19.8 tp -57.51 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.353 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.513 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -62.08 -39.85 93.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.03 -45.85 83.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.05 69.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.59 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.5 m -62.42 -31.31 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -59.66 -45.73 91.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.02 -39.01 76.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.396 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 840' ' ' ILE . 27.4 tp -60.46 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.993 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.559 HG13 ' HB1' ' A' ' 860' ' ' ALA . 76.7 t -67.27 -40.8 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 0.0 110.554 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.65 -40.31 94.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.82 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.92 91.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.749 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.617 HD11 HD21 ' A' ' 781' ' ' LEU . 5.0 mt -61.62 -44.58 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 177.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.473 ' HA ' HD21 ' A' ' 857' ' ' LEU . 3.2 ttpt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.801 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.398 0.618 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 841' ' ' LYS . 3.5 mt -75.81 -22.44 56.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.514 -176.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 862' ' ' ILE . 51.9 m -73.0 -44.19 61.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.914 0.387 . . . . 0.0 110.007 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.66 -39.81 95.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.367 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.559 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.77 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.74 176.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -41.55 97.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.445 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 859' ' ' ALA . 6.7 mt -62.33 -42.55 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.497 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -54.75 -54.58 40.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.559 177.545 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -63.34 -48.77 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.39 -36.37 83.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.584 HG23 ' HG ' ' A' ' 829' ' ' LEU . 73.7 m -61.68 -41.03 97.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.846 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -66.85 -35.91 81.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.759 0.314 . . . . 0.0 110.734 177.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -63.98 -41.71 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.539 ' HA ' ' HB1' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -68.24 -50.24 55.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.093 179.464 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.689 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.48 -33.21 64.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.38 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.889 0.376 . . . . 0.0 110.462 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.09 89.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -35.93 82.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.795 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.61 179.114 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 112.85 -0.1 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.12 -42.32 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.41 -47.32 88.93 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.458 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.09 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.693 0.282 . . . . 0.0 111.152 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.77 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.488 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 771' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -61.6 -43.48 98.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.159 0.504 . . . . 0.0 110.761 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 20.5 m -65.96 -34.59 78.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.892 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.47 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.851 0.358 . . . . 0.0 110.556 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.89 -44.3 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 14.8 m -58.02 -46.54 85.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.982 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.33 -41.16 81.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.29 90.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 110.761 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 805' ' ' ILE . 1.2 tp -66.09 -42.56 89.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.753 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.15 -37.79 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.38 -51.96 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.718 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.477 HD21 HD11 ' A' ' 840' ' ' ILE . 0.5 OUTLIER -68.72 -37.49 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.361 -176.722 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 782' ' ' LEU . 3.5 mt . . . . . 0 C--N 1.33 -0.243 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.827 0.346 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.459 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.7 OUTLIER -62.96 -42.83 99.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.518 179.138 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.88 -39.94 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.735 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 26.9 m -59.43 -49.72 76.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.44 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 829' ' ' LEU . 5.8 mt -59.19 -50.55 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 806' ' ' LEU . 1.0 OUTLIER -52.82 -48.6 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 178.269 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.5 m -60.08 -46.16 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.199 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.525 HG13 ' HB3' ' A' ' 825' ' ' GLN . 25.2 t -64.39 -47.34 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.588 0.232 . . . . 0.0 111.347 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.2 m -63.42 -40.07 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.472 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -37.75 88.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.937 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 35.4 m-20 -61.06 -42.6 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.428 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.4 mt -63.42 -37.77 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.95 -46.71 88.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.132 0.491 . . . . 0.0 110.309 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 1.5 m -67.22 -49.36 64.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.16 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.7 m -88.81 31.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.696 0.284 . . . . 0.0 111.525 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.406 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 3.7 ttm -68.07 105.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.93 -22.62 5.4 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 818' ' ' ASP . . . . . 0.513 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 0.4 OUTLIER -84.36 82.89 8.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.762 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -50.34 -58.61 5.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.85 95.06 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.82 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 19.1 tp10 -62.8 -43.15 99.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.819 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.428 ' HG2' HG23 ' A' ' 812' ' ' ILE . 13.6 mtp -59.76 -47.12 86.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 23.9 t -62.76 -41.98 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.093 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.903 ' HA ' ' HD3' ' A' ' 827' ' ' ARG . 2.8 tmm_? -55.37 -51.56 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.527 ' HA ' HD12 ' A' ' 828' ' ' ILE . 44.5 mm-40 -65.53 -35.36 80.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.47 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.27 98.99 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.903 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -69.66 -28.62 66.03 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.379 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 825' ' ' GLN . 40.4 mt -70.06 -42.42 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.647 HD11 HG23 ' A' ' 805' ' ' ILE . 15.5 tp -55.82 -47.42 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.587 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -58.16 -38.36 76.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.977 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.85 -49.22 31.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.232 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.58 95.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.288 -176.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.553 ' HA ' HD11 ' A' ' 805' ' ' ILE . 5.5 m -65.97 -33.96 77.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.993 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -63.45 -39.73 95.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.282 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.92 -41.59 91.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.248 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.3 tp -59.29 -52.0 67.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.893 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.554 HG13 ' HB1' ' A' ' 860' ' ' ALA . 89.6 t -64.99 -41.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -61.56 -45.19 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.52 90.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.477 HD11 HD21 ' A' ' 781' ' ' LEU . 6.5 mt -63.8 -49.35 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.846 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.402 ' HB3' HG23 ' A' ' 840' ' ' ILE . 89.5 mt . . . . . 0 N--CA 1.441 -0.912 0 CA-C-O 121.153 0.501 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.2 mt -68.32 -36.55 79.46 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.942 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.7 m -62.21 -47.64 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.227 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.23 93.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.554 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.09 -32.05 73.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -43.75 98.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.25 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.415 HG13 ' H ' ' A' ' 862' ' ' ILE . 1.0 OUTLIER -67.11 -36.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.275 176.852 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -55.0 -56.37 20.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.541 177.532 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -66.34 -36.02 81.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.721 -177.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.46 -42.71 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.551 . . . . 0.0 110.11 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.28 77.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.938 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -62.5 -44.35 96.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.331 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.66 -37.61 88.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.512 178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.53 -43.89 92.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.251 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -66.26 -49.06 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -35.97 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.6 tt0 -67.6 -40.28 84.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.73 -45.25 65.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.963 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.83 96.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -69.03 -27.08 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.438 . . . . 0.0 110.749 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.69 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.16 -45.26 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.449 0.166 . . . . 0.0 110.809 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -54.04 -52.11 45.53 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.634 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.14 97.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.21 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.137 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.04 98.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.4 m -62.8 -43.95 97.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.366 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.88 79.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.36 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.7 -50.3 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.878 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.6 m -59.16 -40.38 85.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.74 -39.37 70.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.43 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 110.263 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.8 HD11 ' HA ' ' A' ' 802' ' ' THR . 2.4 tp -61.56 -45.01 95.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.293 176.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -57.44 -43.84 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.86 -54.22 49.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.621 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.558 HD11 HD13 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -60.76 -43.6 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.126 -178.518 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.138 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.557 0.218 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.8 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.9 p -59.09 -46.38 88.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -178.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.51 -44.61 93.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.65 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.6 m -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.61 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 829' ' ' LEU . 4.0 mt -57.25 -53.98 36.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.693 0.282 . . . . 0.0 110.787 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.421 ' HB2' ' CD2' ' A' ' 778' ' ' LEU . 1.5 tt -55.24 -47.72 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.9 m -58.08 -44.61 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.625 HG13 ' HB3' ' A' ' 825' ' ' GLN . 5.2 t -65.15 -48.59 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.0 OUTLIER -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.704 0.287 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.44 -33.83 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.325 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.6 m-20 -61.58 -39.93 92.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.489 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.608 HG23 ' HG2' ' A' ' 822' ' ' MET . 4.4 mt -65.51 -33.78 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -64.82 -47.35 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 176.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.427 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 49.5 m -109.52 34.73 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.778 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.489 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.9 ttm -68.0 97.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.34 0.591 . . . . 0.0 109.7 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.64 -22.87 3.46 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -173.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -88.97 83.62 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 823' ' ' VAL . . . -45.28 -57.85 3.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.946 -1.025 . . . . 0.0 113.278 -173.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 820' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 824' ' ' ARG . . . -55.82 -48.27 73.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.754 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 6.1 tp10 -68.38 -40.58 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.538 0.209 . . . . 0.0 110.472 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.608 ' HG2' HG23 ' A' ' 812' ' ' ILE . 7.9 mtp -57.94 -50.32 73.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 875' ' ' LYS . 38.2 t -67.35 -39.48 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.174 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 820' ' ' GLY . 0.4 OUTLIER -55.79 -55.03 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.779 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 828' ' ' ILE . 78.4 mm-40 -61.62 -39.08 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.465 0.478 . . . . 0.0 110.621 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -55.17 -43.04 73.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.176 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 1.7 mtp-105 -62.39 -42.21 99.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.919 0.39 . . . . 0.0 110.581 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 825' ' ' GLN . 9.0 mt -66.76 -40.29 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.448 ' CD1' HG23 ' A' ' 805' ' ' ILE . 13.9 tp -57.54 -48.69 78.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.273 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.504 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.27 -46.71 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -66.7 -40.16 88.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.088 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.94 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.183 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.9 m -64.15 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.144 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.5 m -58.94 -44.36 91.39 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.93 -40.23 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.46 -51.77 67.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.54 HG13 ' HB1' ' A' ' 860' ' ' ALA . 90.3 t -66.79 -41.9 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 -178.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.84 -43.44 94.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.558 HD13 HD11 ' A' ' 781' ' ' LEU . 8.1 mt -62.56 -48.28 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.305 -177.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.344 0.592 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 3.1 mt -75.88 -29.22 58.42 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.212 -0.903 . . . . 0.0 111.621 -175.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 62.9 m -68.16 -39.52 82.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -65.58 -39.74 91.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.414 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.54 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -65.77 -28.93 69.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.938 177.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.45 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.146 176.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 859' ' ' ALA . 8.2 mt -61.32 -44.21 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.045 176.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.494 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -52.07 -51.99 54.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.878 178.279 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.8 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.06 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.51 -38.38 77.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.698 0.285 . . . . 0.0 111.523 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.92 -35.68 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.961 0.41 . . . . 0.0 110.519 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.504 HG21 ' HA ' ' A' ' 830' ' ' ALA . 96.9 m -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.27 93.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.838 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -40.64 68.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.071 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.575 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -69.3 -52.23 29.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.444 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.586 ' O ' ' HB3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -62.95 -34.44 66.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.422 . . . . 0.0 111.021 -178.439 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.512 ' HA ' ' HE2' ' A' ' 875' ' ' LYS . 46.5 mm-40 -75.93 -33.66 59.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.458 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -78.11 -51.13 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 874' ' ' ALA . . . . . 0.546 ' HB2' ' HE1' ' A' ' 870' ' ' MET . . . -63.7 -36.31 83.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.621 -175.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.764 ' HA ' HG22 ' A' ' 823' ' ' VAL . 0.3 OUTLIER -79.28 -24.96 42.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.095 0.474 . . . . 0.0 110.358 -177.666 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.008 178.321 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 767' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 767' ' ' VAL . 1.6 t -60.96 -42.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.531 0.205 . . . . 0.0 111.03 -176.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.17 -51.13 59.34 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.677 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.81 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.53 94.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.432 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 21.3 m -62.74 -36.01 81.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.619 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.42 94.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 774' ' ' VAL . . . . . 0.418 ' CG2' ' HG3' ' A' ' 870' ' ' MET . 62.8 t -63.47 -44.43 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.489 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 775' ' ' THR . . . . . 0.534 HG23 HD21 ' A' ' 806' ' ' LEU . 20.6 m -57.74 -44.34 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.226 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.8 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 110.267 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.44 HD22 ' HG ' ' A' ' 806' ' ' LEU . 0.3 OUTLIER -61.56 -45.66 93.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.124 175.621 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -56.77 -47.73 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.146 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.99 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.162 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -61.74 -44.21 97.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.837 -174.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 782' ' ' LEU . 11.9 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.465 0.174 . . . . 0.0 111.15 -176.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.659 0.266 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -37.22 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.949 0.404 . . . . 0.0 110.581 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.02 -45.06 94.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 5.1 m -60.11 -43.03 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.495 HG23 ' CD1' ' A' ' 829' ' ' LEU . 50.4 mt -61.29 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.534 HD21 HG23 ' A' ' 775' ' ' THR . 0.4 OUTLIER -55.17 -40.54 70.78 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.36 0.412 . . . . 0.0 110.987 -179.471 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 87.8 m -59.17 -41.45 88.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.483 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.6 t -62.94 -46.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -42.97 99.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.126 0.489 . . . . 0.0 110.571 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -37.51 87.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.343 176.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -61.48 -47.44 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.395 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.572 HG23 ' HG2' ' A' ' 822' ' ' MET . 5.1 mt -58.98 -42.87 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.446 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.87 -39.05 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 70.4 m -85.62 1.0 51.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.647 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.3 m -129.03 24.5 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.741 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 mmt -62.34 105.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.477 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.18 -36.2 2.37 Favored Glycine 0 N--CA 1.445 -0.767 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -84.01 85.25 7.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -52.17 -42.18 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.91 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.2 -45.91 93.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.644 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.75 -41.69 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.813 0.34 . . . . 0.0 110.247 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.572 ' HG2' HG23 ' A' ' 812' ' ' ILE . 37.0 mtp -58.67 -51.55 69.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.966 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.36 -36.36 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -53.33 58.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.059 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.635 ' HA ' HD12 ' A' ' 828' ' ' ILE . 48.8 mm-40 -66.61 -41.55 88.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.731 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.16 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.436 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -66.89 -39.52 87.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 110.493 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.5 mt -65.14 -41.23 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' ' 867' ' ' THR . 16.7 tp -57.41 -48.61 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.971 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.402 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -58.55 -40.4 82.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 111.036 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -46.08 62.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.89 -47.0 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.692 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.7 m -66.28 -31.35 72.11 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.466 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.4 m -59.69 -44.6 93.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.98 0.419 . . . . 0.0 110.038 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -65.24 -46.41 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.288 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 28.6 tp -56.66 -52.1 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.334 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.66 HG13 ' HB1' ' A' ' 860' ' ' ALA . 78.8 t -67.55 -40.51 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.162 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -63.38 -38.69 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 110.741 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.21 80.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.766 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.665 HD13 HD11 ' A' ' 781' ' ' LEU . 11.6 mt -62.77 -44.54 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.795 ' HE2' HD22 ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.343 0.592 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.795 HD22 ' HE2' ' A' ' 841' ' ' LYS . 2.3 mt -75.82 -23.71 55.8 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.823 -174.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.497 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.1 OUTLIER -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -62.58 -42.12 99.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.176 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.66 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.11 -34.41 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.636 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -43.42 94.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.329 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 859' ' ' ALA . 16.1 mt -59.24 -45.43 93.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.124 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.059 175.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.6 OUTLIER -53.25 -53.2 54.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.657 177.789 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -67.52 -41.62 84.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -176.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.24 -47.58 73.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.802 HG23 ' HG ' ' A' ' 829' ' ' LEU . 53.8 m -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.84 177.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.37 -42.69 96.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.048 176.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -41.18 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.421 ' HE1' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -61.28 -50.75 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.693 178.33 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -38.55 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.695 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.5 OUTLIER -65.16 -46.65 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 0.0 110.701 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.11 81.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -68.0 -43.09 79.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -35.8 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.639 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.156 177.636 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.76 -44.88 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.402 0.144 . . . . 0.0 111.367 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.13 -53.39 42.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.467 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.19 98.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.696 0.284 . . . . 0.0 111.282 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 770' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.69 -40.42 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.19 -178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 771' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -65.66 -44.63 85.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 8.6 m -60.99 -35.16 76.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.38 90.39 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.677 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.59 -44.63 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.376 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 775' ' ' THR . . . . . 0.622 HG23 HD21 ' A' ' 806' ' ' LEU . 2.7 m -57.68 -47.09 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.938 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.05 -41.39 82.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 802' ' ' THR . 6.8 tp -60.25 -45.09 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.432 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 779' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 775' ' ' THR . 1.6 t-20 -57.87 -45.96 85.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.407 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -50.33 74.12 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.963 -178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.573 HD11 HD13 ' A' ' 840' ' ' ILE . 1.1 tp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.252 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.726 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.52 0.2 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.518 HG22 HD11 ' A' ' 778' ' ' LEU . 7.7 p -64.35 -39.48 93.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.101 0.476 . . . . 0.0 110.64 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.2 -46.34 84.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.708 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 22.8 m -59.02 -46.51 88.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.669 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 829' ' ' LEU . 9.6 mt -57.56 -59.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.666 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 775' ' ' THR . 1.5 mt -54.75 -48.44 72.61 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.634 0.584 . . . . 0.0 111.953 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 m -61.05 -39.46 89.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.682 0.277 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.98 -47.22 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.649 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.413 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -62.96 -41.11 99.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.172 0.51 . . . . 0.0 110.374 178.231 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.5 -39.24 83.17 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.468 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -69.86 -37.29 76.05 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.223 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 4.9 mt -60.66 -33.69 55.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.503 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.74 -41.2 96.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.72 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -37.72 64.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.822 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.4 m -93.16 19.57 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.359 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.9 ttm -67.08 117.68 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 110.722 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 110.88 -15.55 28.64 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.869 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.7 -22.06 51.02 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.132 0.492 . . . . 0.0 110.693 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 69.11 -60.72 0.45 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.046 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.22 -54.41 38.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.539 -0.363 . . . . 0.0 112.927 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.441 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 1.5 tp10 -62.98 -31.71 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 0.0 110.738 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 44.7 mtp -66.09 -46.73 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.4 -43.35 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.369 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -52.46 65.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.702 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.4 OUTLIER -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.768 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 826' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 871' ' ' VAL . . . -59.66 -36.28 76.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.812 0.339 . . . . 0.0 111.301 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -63.06 -38.72 92.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.274 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.4 mt -70.97 -37.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 805' ' ' ILE . 2.1 tp -55.97 -48.94 74.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.229 176.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.44 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.894 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -63.03 -48.1 80.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.276 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.09 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.429 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.3 m -67.13 -32.47 73.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.815 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.2 m -58.12 -41.76 84.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.03 -42.68 69.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.08 -51.95 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.658 HG13 ' HB1' ' A' ' 860' ' ' ALA . 75.5 t -62.34 -41.4 91.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.018 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.02 -43.97 97.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.33 98.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.573 HD13 HD11 ' A' ' 781' ' ' LEU . 8.5 mt -66.81 -45.95 86.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.409 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 2.4 mt -68.76 -40.39 79.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.505 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.6 OUTLIER -64.06 -43.4 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.555 177.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.23 91.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.658 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -67.9 -27.35 66.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.827 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.31 83.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 858' ' ' SER . 3.0 mt -66.52 -38.03 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.6 OUTLIER -57.43 -52.91 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 178.3 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.55 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -51.35 36.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.38 93.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.31 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 829' ' ' LEU . 8.1 m -64.39 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.461 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -68.51 -42.51 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -60.2 -39.64 87.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.707 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.637 ' SD ' HD23 ' A' ' 829' ' ' LEU . 0.0 OUTLIER -65.26 -52.25 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.864 179.014 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.5 HG23 ' HB1' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -63.1 -37.25 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.739 -178.556 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.1 tm-20 -69.59 -37.42 76.93 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -71.23 -44.33 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.73 98.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -37.91 65.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.871 -178.705 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.08 -44.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.271 . . . . 0.0 110.598 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.18 -50.84 59.61 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.652 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.37 86.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.664 0.232 . . . . 0.0 110.816 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.26 92.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 22.8 m -64.18 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.69 92.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.11 -48.51 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.434 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.8 m -58.64 -41.6 86.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.198 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -68.76 -42.11 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.786 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.62 98.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 0.0 110.296 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 802' ' ' THR . 7.2 tp -65.51 -45.86 81.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.545 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.29 -38.69 80.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -58.68 -52.01 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.707 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.548 HD21 HD11 ' A' ' 840' ' ' ILE . 1.1 tp -72.37 -41.16 66.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.578 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.765 0.317 . . . . 0.0 111.529 -177.022 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.603 0.24 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.541 HG22 HD11 ' A' ' 778' ' ' LEU . 1.0 OUTLIER -63.21 -41.55 99.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -178.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.87 -46.15 88.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.514 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 86.1 m -59.8 -47.05 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.501 HG23 HD11 ' A' ' 829' ' ' LEU . 5.5 mt -57.59 -50.44 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.544 178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.427 ' HG ' HD23 ' A' ' 778' ' ' LEU . 2.9 mt -56.04 -49.3 74.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 57.5 m -58.09 -47.04 84.43 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.111 0.257 . . . . 0.0 110.751 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.755 HG13 ' HB3' ' A' ' 825' ' ' GLN . 12.3 t -62.23 -51.93 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.9 m -63.53 -42.47 98.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.049 0.452 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.91 -28.09 67.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.281 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.9 m-20 -64.42 -44.35 91.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 173.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.63 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.5 mt -64.28 -36.09 76.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.519 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.41 -30.06 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.259 0.552 . . . . 0.0 110.092 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 4.2 m -97.76 5.64 48.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.313 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.1 p -135.26 12.7 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.015 -178.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.587 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 0.4 OUTLIER -64.67 102.16 0.54 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.463 0.649 . . . . 0.0 110.812 -174.647 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.3 -40.17 1.31 Allowed Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -83.24 108.52 16.52 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.35 97.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.646 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.22 -54.03 37.75 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.352 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.61 -37.41 79.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.939 0.37 . . . . 0.0 110.581 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.616 ' HG2' HG23 ' A' ' 812' ' ' ILE . 10.1 mtp -61.17 -48.45 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.789 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.91 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.079 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.606 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 15.2 ttp180 -55.01 -57.4 11.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.66 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.796 ' HA ' HD12 ' A' ' 828' ' ' ILE . 72.0 mm-40 -61.8 -37.68 85.29 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.813 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.85 -33.62 68.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 111.368 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.606 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 4.4 mtt180 -65.84 -46.84 77.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.045 0.45 . . . . 0.0 110.014 177.058 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 825' ' ' GLN . 4.3 mt -66.44 -37.32 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.731 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.755 ' HG ' HG23 ' A' ' 867' ' ' THR . 7.2 tp -56.98 -49.04 76.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -61.8 -40.81 96.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.793 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -45.84 84.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.021 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.47 -49.4 69.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.424 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -65.74 -34.47 78.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.43 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.8 m -57.81 -42.37 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.96 0.41 . . . . 0.0 110.364 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.82 -38.11 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 29.5 tp -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.569 HG21 ' HB2' ' A' ' 864' ' ' ALA . 77.4 t -64.68 -40.82 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.558 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.15 -40.73 96.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.42 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.32 97.02 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.333 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.548 HD11 HD21 ' A' ' 781' ' ' LEU . 4.7 mt -63.07 -44.95 99.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.48 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 N--CA 1.441 -0.895 0 CA-C-O 121.202 0.525 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.26 -33.11 72.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.872 -177.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 15.3 m -67.35 -39.65 85.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.714 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.564 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -70.19 -40.63 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.256 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.04 -33.49 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.06 177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -60.87 -43.18 98.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.407 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.1 mt -64.17 -42.68 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.853 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -51.95 -54.85 24.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.954 178.343 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.02 -47.94 82.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.745 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.93 -45.98 79.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.14 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.39 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.755 HG23 ' HG ' ' A' ' 829' ' ' LEU . 88.4 m -65.21 -36.36 83.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.024 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.422 ' HA ' ' HB ' ' A' ' 871' ' ' VAL . . . -71.64 -32.31 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -63.02 -42.81 99.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.47 75.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 871' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 830' ' ' ALA . 2.2 t -54.71 -48.26 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.56 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -40.62 90.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.848 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.17 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.408 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.4 88.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -42.22 83.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.617 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.406 179.012 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.501 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.9 -39.41 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.472 0.177 . . . . 0.0 111.248 -175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.497 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.83 84.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.54 99.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.416 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.15 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 27.9 m -59.68 -34.7 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.59 81.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 110.708 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.79 -45.58 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.322 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -41.89 81.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 0.0 110.834 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.82 -46.63 71.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.83 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 806' ' ' LEU . 6.4 tp -66.81 -44.1 82.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -59.88 -40.86 90.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 109.842 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.73 -55.92 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.654 176.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 840' ' ' ILE . 1.3 tp -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.587 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 782' ' ' LEU . 3.9 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.192 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.535 0.207 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 4.0 p -64.01 -40.71 96.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.73 -43.03 80.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.4 m -59.43 -46.42 88.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.677 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 829' ' ' LEU . 5.5 mt -61.28 -54.75 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 778' ' ' LEU . 1.7 mt -52.04 -49.24 63.83 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.43 0.457 . . . . 0.0 111.118 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.3 m -61.82 -35.85 79.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.2 t -65.82 -47.4 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.565 177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.79 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.039 0.447 . . . . 0.0 110.4 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -35.95 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.984 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.213 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 822' ' ' MET . 5.4 mt -65.08 -35.33 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.555 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.85 -27.31 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.439 . . . . 0.0 110.411 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -28.64 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.817 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.619 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.7 p -95.96 13.26 27.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.805 -177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.697 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 5.9 ttm -64.33 98.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.257 0.551 . . . . 0.0 110.633 -177.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.64 7.31 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.684 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -14.25 59.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.224 0.535 . . . . 0.0 110.606 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 66.96 -72.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.528 -1.215 . . . . 0.0 112.771 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.18 -53.4 43.01 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.677 -0.297 . . . . 0.0 113.108 -174.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.57 -36.69 79.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.738 ' HG2' HG23 ' A' ' 812' ' ' ILE . 6.6 mtp -59.99 -51.48 69.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.393 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.51 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.501 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -57.71 -55.97 27.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.791 ' HA ' HD12 ' A' ' 828' ' ' ILE . 59.3 mm-40 -64.61 -35.96 82.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.8 79.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.941 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 12.3 mtp-105 -68.03 -39.85 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.283 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.9 mt -65.61 -37.72 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.974 175.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.1 tp -57.75 -49.03 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.057 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.492 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -59.91 -39.3 84.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.816 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -44.61 89.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.089 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -68.83 -50.23 51.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.638 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.515 ' HA ' ' HB3' ' A' ' 836' ' ' LEU . 2.6 m -65.39 -32.09 73.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -176.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.8 m -59.94 -38.19 81.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.181 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -80.16 -36.21 35.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.373 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 840' ' ' ILE . 16.6 tp -61.25 -52.2 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.983 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.633 HG13 ' HB1' ' A' ' 860' ' ' ALA . 60.1 t -62.4 -38.08 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.818 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -65.74 -40.23 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.572 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.733 HD11 HD21 ' A' ' 781' ' ' LEU . 0.8 OUTLIER -65.2 -43.97 95.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.944 175.587 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.62 179.032 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.442 -0.874 0 CA-C-O 121.26 0.553 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.56 -24.87 56.72 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.61 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -46.3 68.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 110.264 175.013 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.41 -40.59 97.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.435 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.633 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -66.52 -30.94 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.862 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -63.16 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.414 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.7 mt -72.2 -40.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.082 175.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -53.36 -57.02 12.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.096 178.587 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.61 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.28 -43.72 98.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -177.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.63 -47.72 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.446 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.44 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.029 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.669 HG23 ' HG ' ' A' ' 829' ' ' LEU . 93.9 m -61.8 -39.29 91.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.234 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.56 -39.68 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.275 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.533 ' HE3' HG21 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -60.94 -49.22 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 177.759 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -37.81 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.8 OUTLIER -67.84 -48.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.17 90.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.69 72.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.886 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.39 77.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.826 -178.456 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.09 -42.99 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.67 -56.45 24.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.579 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 111.207 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 770' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -64.64 -43.5 93.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.96 95.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.857 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 38.0 m -60.39 -43.1 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.555 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -57.44 -44.86 85.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.196 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.74 -48.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.86 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.6 m -59.41 -38.29 80.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -67.54 -47.02 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 777' ' ' ALA . . . . . 0.434 ' HB1' HD22 ' A' ' 863' ' ' LEU . . . -61.39 -45.43 94.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 802' ' ' THR . 7.2 tp -63.96 -43.16 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.25 -44.76 96.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -51.35 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.495 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.694 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.205 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.705 179.468 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 801' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 805' ' ' ILE . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.572 ' HA ' HD11 ' A' ' 778' ' ' LEU . 15.5 p -63.95 -42.98 97.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -178.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.85 -46.44 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.959 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 27.6 m -59.0 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.591 HG23 HD11 ' A' ' 829' ' ' LEU . 3.3 mt -57.1 -57.38 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.823 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -47.08 74.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.28 0.362 . . . . 0.0 111.513 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 13.6 m -59.41 -34.62 72.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.719 0.295 . . . . 0.0 110.845 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.65 HG11 ' HB2' ' A' ' 829' ' ' LEU . 40.2 t -74.37 -46.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.174 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.144 0.497 . . . . 0.0 110.022 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -37.09 85.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.834 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.05 -47.51 86.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.644 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.4 mt -66.1 -36.94 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.664 0.268 . . . . 0.0 110.822 -178.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.45 -30.75 68.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.154 0.502 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 2.8 m -88.11 -34.86 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.077 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 815' ' ' SER . . . . . 0.644 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 19.5 p -83.48 -2.25 55.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.595 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 mtt -47.31 108.21 0.14 Allowed 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.618 0.574 . . . . 0.0 110.585 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.37 -44.73 1.18 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 818' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 821' ' ' GLU . 37.7 t70 -87.59 95.53 10.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.71 72.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.439 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.62 -55.52 28.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.669 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.481 ' HB2' ' OD2' ' A' ' 818' ' ' ASP . 6.7 tp10 -64.69 -42.31 95.42 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.651 0.263 . . . . 0.0 110.885 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 15.2 mtp -56.69 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.007 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 875' ' ' LYS . 80.8 t -69.27 -41.35 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 0.0 110.491 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.466 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.3 OUTLIER -58.24 -54.3 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.96 ' HA ' HD12 ' A' ' 828' ' ' ILE . 48.2 mm-40 -64.59 -33.63 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.49 -38.34 74.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.197 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.424 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 20.3 mtt-85 -68.0 -38.64 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.284 0.564 . . . . 0.0 110.194 178.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.96 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.2 mt -63.81 -37.91 80.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.921 176.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.65 ' HB2' HG11 ' A' ' 808' ' ' VAL . 3.8 tp -61.12 -49.05 78.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.167 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.28 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.284 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.16 -43.43 98.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.041 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.88 -50.04 70.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 1.8 m -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.613 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.8 m -61.56 -38.55 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.529 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -77.11 -39.65 48.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.454 HD22 HD13 ' A' ' 805' ' ' ILE . 15.2 tp -59.94 -52.1 66.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 864' ' ' ALA . 48.1 t -62.5 -43.66 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -63.69 -35.87 81.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.072 -178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.43 75.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 781' ' ' LEU . 3.1 mt -67.98 -36.79 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.917 ' HE2' HD22 ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.687 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 856' ' ' LEU . 11.0 mt . . . . . 0 N--CA 1.449 -0.509 0 CA-C-O 121.427 0.632 . . . . 0.0 111.912 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.917 HD22 ' HE2' ' A' ' 841' ' ' LYS . 3.0 mt -76.05 -29.28 57.97 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.835 -175.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.459 ' O ' HG13 ' A' ' 862' ' ' ILE . 13.2 m -72.53 -31.95 65.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 174.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -69.44 -44.05 72.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.882 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.504 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.33 -32.2 72.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.47 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -40.06 87.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.407 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 859' ' ' ALA . 1.7 mt -73.38 -36.83 49.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.366 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -52.19 -56.49 14.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.713 178.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -68.49 -40.95 80.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.6 -52.44 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.097 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.52 81.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 829' ' ' LEU . 43.9 m -68.66 -34.25 75.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.246 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.89 79.98 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.193 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -40.48 94.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 829' ' ' LEU . 0.0 OUTLIER -62.59 -52.28 64.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.032 178.092 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -35.4 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.65 -42.38 64.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.43 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.85 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.571 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.245 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 823' ' ' VAL . 11.7 mtmt -69.96 -39.62 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.586 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.78 -178.709 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 767' ' ' VAL . . . . . 0.437 HG23 ' H ' ' A' ' 767' ' ' VAL . 1.3 t -63.37 -44.56 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.577 0.227 . . . . 0.0 111.109 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.45 -49.66 67.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.42 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.95 90.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.5 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 771' ' ' ALA . . . . . 0.581 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -63.85 -42.33 97.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 9.8 m -65.28 -33.89 77.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 32.6 t -66.66 -46.38 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 0.0 110.358 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 775' ' ' THR . . . . . 0.68 HG23 HD21 ' A' ' 806' ' ' LEU . 21.7 m -56.05 -40.93 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.115 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -74.07 -42.47 60.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.5 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.514 HD13 HG21 ' A' ' 805' ' ' ILE . 2.5 tp -62.67 -39.14 92.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.748 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.88 -51.77 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.016 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.539 HD21 HD11 ' A' ' 840' ' ' ILE . 1.8 tp -64.04 -40.67 96.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.439 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.73 -176.429 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.476 HG22 HD11 ' A' ' 778' ' ' LEU . 4.8 p -63.6 -39.78 95.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.11 -41.26 99.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.421 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 804' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 808' ' ' VAL . 24.5 m -59.07 -44.93 91.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 177.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 778' ' ' LEU . 5.2 mt -58.27 -53.21 49.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.351 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.68 HD21 HG23 ' A' ' 775' ' ' THR . 2.4 mt -56.46 -40.04 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 16.6 m -64.8 -34.23 77.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.712 0.291 . . . . 0.0 110.733 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 829' ' ' LEU . 46.4 t -71.67 -50.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.052 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 809' ' ' THR . . . . . 0.581 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -60.07 -42.74 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.426 . . . . 0.0 110.533 177.501 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.03 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.305 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 811' ' ' ASN . . . . . 0.446 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 0.9 OUTLIER -58.4 -50.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.277 176.64 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.523 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.2 mt -59.04 -36.35 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.377 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.698 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.6 m -78.13 -38.29 44.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.023 0.44 . . . . 0.0 110.92 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.5 m -93.37 28.6 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 95.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 138.54 -18.94 3.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.79 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.3 89.99 4.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 174.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.92 71.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.691 -174.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -64.03 -50.54 59.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.317 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.58 -37.45 87.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.55 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.523 ' HG2' HG23 ' A' ' 812' ' ' ILE . 32.6 mtp -63.05 -48.78 77.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 178.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 875' ' ' LYS . 30.4 t -59.45 -45.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.366 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -47.31 86.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.736 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.0 OUTLIER -61.23 -46.85 88.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.101 179.097 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.15 -31.13 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.357 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -71.57 -34.93 70.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.874 0.368 . . . . 0.0 110.351 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 825' ' ' GLN . 8.1 mt -65.79 -40.48 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 173.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.687 ' HB2' HG11 ' A' ' 808' ' ' VAL . 8.7 tp -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.289 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.551 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.66 -44.92 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.14 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -63.63 -44.98 92.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.95 -49.59 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.64 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.4 m -65.21 -36.92 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.8 m -57.92 -38.4 75.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.479 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.56 -46.95 62.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.277 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 836' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 840' ' ' ILE . 31.4 tp -56.02 -51.9 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.372 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.615 HG13 ' HB1' ' A' ' 860' ' ' ALA . 78.6 t -59.94 -37.56 72.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.435 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -66.02 -39.23 90.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.27 86.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.865 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.539 HD11 HD21 ' A' ' 781' ' ' LEU . 3.6 mt -65.74 -38.92 83.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.402 HD22 HG23 ' A' ' 840' ' ' ILE . 5.2 mt . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.325 0.583 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -23.75 56.23 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.278 -176.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.486 ' O ' HG13 ' A' ' 862' ' ' ILE . 29.5 m -68.37 -46.19 70.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.87 -42.31 97.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.615 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -60.86 -36.5 79.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 177.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.26 99.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.386 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 859' ' ' ALA . 14.9 mt -62.61 -42.66 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.413 177.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.5 OUTLIER -53.13 -50.26 64.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.409 178.249 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.72 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.653 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.96 -46.65 86.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.986 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.02 81.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.616 HG23 ' HG ' ' A' ' 829' ' ' LEU . 89.4 m -67.44 -39.36 85.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.28 -42.3 96.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -58.32 -43.41 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.22 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -49.01 75.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.081 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -37.99 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -68.9 -41.71 77.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.669 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.82 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.114 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.064 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.474 ' HG3' HG22 ' A' ' 823' ' ' VAL . 0.4 OUTLIER -71.9 -28.21 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.377 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.472 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.353 179.714 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.8 -45.87 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.359 0.123 . . . . 0.0 111.256 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.43 60.29 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.589 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.55 74.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.767 0.318 . . . . 0.0 111.056 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.96 95.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.305 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 771' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -63.41 -46.79 84.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.667 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 24.5 m -61.09 -29.99 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.33 83.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.329 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 68.6 t -71.65 -46.38 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -43.05 78.84 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.719 176.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.08 -49.29 70.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.85 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.11 99.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.458 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 802' ' ' THR . 1.3 tp -61.13 -48.08 83.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.7 -34.45 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.7 -54.67 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.207 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.602 HD11 HD13 ' A' ' 840' ' ' ILE . 1.6 tp -62.22 -40.12 95.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.69 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.625 178.164 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 111.457 0.169 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.606 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.8 p -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.885 0.374 . . . . 0.0 110.297 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -60.07 -50.36 74.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.984 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 62.0 m -59.07 -47.29 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.636 HG23 HD11 ' A' ' 829' ' ' LEU . 22.4 mt -60.31 -55.48 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 0.0 110.679 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.522 ' HG ' HD22 ' A' ' 778' ' ' LEU . 0.3 OUTLIER -55.79 -46.61 77.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.907 -179.318 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 93.6 m -63.3 -43.47 97.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.403 0.144 . . . . 0.0 111.099 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 825' ' ' GLN . 3.5 t -59.62 -47.34 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.307 . . . . 0.0 110.517 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.4 m -61.6 -41.95 98.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.11 -33.63 75.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.562 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.06 -40.18 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.2 mt -63.82 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.959 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.03 -42.13 93.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.824 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -33.9 52.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.929 -178.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.7 m -93.7 24.41 4.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 ttt -69.91 86.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 109.874 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.99 -30.65 0.44 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -98.58 96.94 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.7 74.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.371 -176.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -66.43 -49.1 58.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.873 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.86 -36.38 83.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.421 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.526 ' HG2' HG23 ' A' ' 812' ' ' ILE . 31.0 mtp -62.19 -51.38 68.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.757 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.22 -38.87 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 110.481 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 824' ' ' ARG . . . . . 0.403 ' NH1' HE21 ' A' ' 825' ' ' GLN . 0.4 OUTLIER -54.84 -53.04 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.843 176.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 1.067 ' HA ' HD12 ' A' ' 828' ' ' ILE . 29.8 mm-40 -73.36 -31.86 64.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.0 76.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.412 . . . . 0.0 110.584 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -67.48 -38.42 84.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 1.067 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.1 mt -66.45 -40.65 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 109.721 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.764 ' HG ' HG23 ' A' ' 867' ' ' THR . 14.0 tp -55.93 -48.97 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.601 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.28 82.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.036 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.86 -54.04 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.935 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.61 -40.34 87.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.853 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 833' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 837' ' ' VAL . 7.5 m -69.47 -39.46 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.407 -178.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 44.7 m -60.09 -40.37 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.757 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.2 -36.76 77.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.767 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.12 -51.78 59.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.766 HG12 ' HE3' ' A' ' 841' ' ' LYS . 76.6 t -62.53 -42.85 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -61.09 -39.97 91.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.18 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.602 HD13 HD11 ' A' ' 781' ' ' LEU . 12.0 mt -66.54 -41.05 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.681 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 841' ' ' LYS . . . . . 0.766 ' HE3' HG12 ' A' ' 837' ' ' VAL . 3.1 mtmt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.196 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 121.417 0.627 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 857' ' ' LEU . . . . . 0.571 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.9 mt -75.65 -28.69 58.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.476 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 858' ' ' SER . . . . . 0.547 ' O ' HG13 ' A' ' 862' ' ' ILE . 67.2 m -59.84 -48.2 82.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.695 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -62.64 -41.32 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.604 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.618 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.69 -36.22 82.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.783 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -65.87 -39.45 90.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' A' ' 859' ' ' ALA . 13.5 mt -63.26 -41.82 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.17 -56.07 19.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 177.552 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.09 -41.29 98.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.549 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.0 -44.1 85.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.62 96.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.764 HG23 ' HG ' ' A' ' 829' ' ' LEU . 59.1 m -65.55 -33.16 75.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.581 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 868' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.29 -41.19 94.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 109.98 174.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -38.67 89.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.854 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.409 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -64.7 -48.74 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.961 178.385 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -37.12 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.124 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 872' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.04 -37.77 66.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.69 -179.361 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.7 -46.8 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.805 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.1 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.999 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -46.95 59.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.277 -175.633 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.729 -0.148 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.02 -41.4 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.543 0.211 . . . . 0.0 111.035 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -55.59 -52.66 46.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.091 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.78 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.804 0.335 . . . . 0.0 111.003 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.98 97.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.221 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 23.8 m -63.42 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.388 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.26 92.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.807 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 774' ' ' VAL . . . . . 0.539 HG21 ' HG3' ' A' ' 870' ' ' MET . 78.1 t -63.49 -47.51 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.625 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 775' ' ' THR . . . . . 0.401 HG23 HD21 ' A' ' 806' ' ' LEU . 11.8 m -56.46 -41.61 76.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.302 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -75.7 -42.04 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.295 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.83 97.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 778' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 805' ' ' ILE . 6.3 tp -62.29 -42.94 99.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.28 178.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.43 -35.79 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -45.54 93.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.459 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 781' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -70.91 -44.28 66.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.888 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 782' ' ' LEU . . . . . 0.759 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.4 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.102 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 801' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 805' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.678 0.275 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 802' ' ' THR . . . . . 0.759 HG21 ' HG ' ' A' ' 782' ' ' LEU . 1.5 p -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.68 -46.09 90.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 47.2 m -59.35 -46.15 89.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.779 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 805' ' ' ILE . . . . . 0.486 HG21 HD13 ' A' ' 778' ' ' LEU . 4.0 mt -64.34 -57.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.042 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 806' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 778' ' ' LEU . 1.8 mt -54.79 -44.03 73.39 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.354 0.409 . . . . 0.0 111.701 -175.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 30.0 m -59.4 -36.17 75.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 808' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 829' ' ' LEU . 8.7 t -73.45 -47.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.975 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.11 99.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.399 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -38.91 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.719 175.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.56 -44.87 93.15 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.956 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 812' ' ' ILE . . . . . 0.459 HG21 ' HE3' ' A' ' 870' ' ' MET . 1.4 mt -58.91 -35.62 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -178.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -66.73 -44.33 81.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -32.54 69.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.59 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -96.21 14.45 24.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.992 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 816' ' ' MET . . . . . 0.403 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 3.5 ttm -59.12 116.94 4.18 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 110.557 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.0 -42.36 1.48 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.88 75.84 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 819' ' ' ALA . . . . . 0.55 ' HA ' ' HB2' ' A' ' 822' ' ' MET . . . -56.92 -29.74 63.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.644 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -61.83 -48.01 86.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.508 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.7 -39.15 77.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 110.01 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 822' ' ' MET . . . . . 0.55 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 22.7 mtp -56.04 -45.08 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.222 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 823' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 819' ' ' ALA . 56.9 t -63.61 -39.88 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.829 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -63.04 -48.16 79.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.054 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 825' ' ' GLN . . . . . 0.647 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.2 OUTLIER -60.74 -43.03 98.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.087 178.536 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.34 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.184 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 827' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 827' ' ' ARG . 0.0 OUTLIER -65.7 -40.07 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.009 0.433 . . . . 0.0 110.089 177.237 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 828' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.0 mt -65.96 -39.52 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.985 175.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 829' ' ' LEU . . . . . 0.821 ' HG ' HG23 ' A' ' 867' ' ' THR . 14.2 tp -57.29 -48.72 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.504 176.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 830' ' ' ALA . . . . . 0.437 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -57.98 -39.99 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -51.66 57.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.912 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.78 86.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.805 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 -36.28 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 834' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -63.35 -34.58 78.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.105 0.478 . . . . 0.0 110.181 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.81 -37.37 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.299 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.17 -51.67 62.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.077 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 837' ' ' VAL . . . . . 0.743 HG13 ' HB1' ' A' ' 860' ' ' ALA . 80.5 t -61.93 -40.02 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.191 -176.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.47 -32.77 74.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 111.119 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.09 -47.66 76.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.326 177.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 840' ' ' ILE . . . . . 0.671 HD13 HD11 ' A' ' 781' ' ' LEU . 4.9 mt -65.93 -33.64 64.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.445 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.67 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 856' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 856' ' ' LEU . 9.0 mt . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 121.312 0.577 . . . . 0.0 111.52 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.02 -25.06 55.35 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.709 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.8 m -64.58 -45.4 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 859' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -69.04 -38.84 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 860' ' ' ALA . . . . . 0.743 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.34 -35.69 79.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.096 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.07 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.525 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 862' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 859' ' ' ALA . 10.5 mt -64.47 -37.86 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.005 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 863' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -54.27 -55.6 26.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.459 176.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 864' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -66.72 -41.58 87.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.614 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.47 -50.71 66.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.4 75.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 867' ' ' THR . . . . . 0.821 HG23 ' HG ' ' A' ' 829' ' ' LEU . 58.9 m -65.46 -41.4 93.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 177.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.39 80.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.116 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -39.59 93.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.925 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 870' ' ' MET . . . . . 0.539 ' HG3' HG21 ' A' ' 774' ' ' VAL . 0.0 OUTLIER -58.81 -51.59 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.459 176.611 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -39.64 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.923 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.45 -47.56 60.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.63 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.601 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.88 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.973 0.416 . . . . 0.0 110.835 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 875' ' ' LYS . . . . . 0.41 ' HE2' HG13 ' A' ' 823' ' ' VAL . 17.9 mttm -75.62 -28.08 58.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.941 177.745 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 751' ' ' GLY . . . . . 0.688 ' N ' ' HG ' ' A' ' 815' ' ' SER . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' SER . . . . . 0.835 ' HA ' ' HB2' ' A' ' 818' ' ' ASP . 0.9 OUTLIER -87.51 138.31 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.914 0.387 . . . . 0.0 110.836 -178.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -81.5 -100.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.77 72.25 0.26 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -106.74 -102.56 0.34 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.012 -174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -113.92 144.38 43.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.973 0.416 . . . . 0.0 111.426 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -113.75 101.63 9.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.002 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.7 110.37 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.157 0.503 . . . . 0.0 110.972 -178.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 759' ' ' GLU . . . . . 0.424 ' H ' ' HG2' ' A' ' 759' ' ' GLU . 0.0 OUTLIER -65.33 -36.12 83.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.704 -176.463 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.98 1.79 51.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.23 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 71.01 29.1 69.41 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.984 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -29.28 65.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.706 0.253 . . . . 0.0 111.651 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.5 OUTLIER -60.62 -37.63 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.009 0.433 . . . . 0.0 110.588 178.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 764' ' ' LEU . . . . . 0.475 HD13 ' HA3' ' A' ' 768' ' ' GLY . 1.5 mm? -90.85 -39.12 12.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.791 0.329 . . . . 0.0 110.449 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -59.81 -41.33 91.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.183 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -92.91 -66.98 1.09 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.408 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.32 -46.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -174.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 764' ' ' LEU . . . -55.8 -46.4 83.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.398 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.1 80.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 111.369 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.47 94.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.968 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.0 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.545 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 78.2 m -57.35 -39.88 76.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.159 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.88 77.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.784 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 774' ' ' VAL . . . . . 0.485 ' HB ' HG21 ' A' ' 809' ' ' THR . 45.9 t -70.23 -48.72 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.821 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.12 71.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.055 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -70.05 -51.82 28.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.734 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -57.47 -41.89 81.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.193 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 802' ' ' THR . 1.2 tp -58.86 -48.24 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -67.23 -39.22 86.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.562 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.44 -53.2 61.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.267 0.556 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 785' ' ' VAL . 0.6 OUTLIER -65.81 -41.31 92.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.067 -178.556 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.745 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.8 mt -55.56 -54.69 40.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -67.85 -28.88 67.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.747 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 77.7 t60 -71.1 -43.72 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.802 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 781' ' ' LEU . 78.2 t -73.97 -44.81 50.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.589 0.233 . . . . 0.0 110.622 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -66.35 -8.24 24.15 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.936 -175.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -118.63 12.32 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.921 0.391 . . . . 0.0 110.901 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 12.3 m-70 -146.07 -165.64 2.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.164 -176.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.708 ' HB3' ' HA2' ' A' ' 796' ' ' GLY . . . 68.73 166.91 0.27 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 124.005 0.816 . . . . 0.0 111.411 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 2.9 m -102.39 113.6 27.07 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.131 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -65.47 90.23 0.12 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.714 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -141.85 72.3 1.38 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.155 0.502 . . . . 0.0 109.994 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 94.02 -132.51 11.22 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.49 54.58 4.41 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.209 2.606 . . . . 0.0 111.783 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -148.86 135.32 19.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.732 -177.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 796' ' ' GLY . . . . . 0.708 ' HA2' ' HB3' ' A' ' 789' ' ' ALA . . . 107.57 -25.78 20.22 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.479 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -172.03 146.04 1.91 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.466 ' CE1' HG11 ' A' ' 785' ' ' VAL . 0.7 OUTLIER -136.21 58.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.83 -43.45 85.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.295 -169.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -63.94 -40.94 97.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.081 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.15 77.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.597 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.745 HG21 ' HG ' ' A' ' 782' ' ' LEU . 1.1 p -67.62 -39.98 84.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.8 -43.43 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.791 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 48.4 m -63.16 -41.0 99.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.595 HG23 ' CD1' ' A' ' 829' ' ' LEU . 64.4 mt -64.0 -58.56 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.62 -45.31 57.5 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.471 0.482 . . . . 0.0 111.442 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.5 m -57.9 -37.97 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.547 HG13 ' HB3' ' A' ' 825' ' ' GLN . 3.9 t -68.78 -49.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.485 HG21 ' HB ' ' A' ' 774' ' ' VAL . 0.3 OUTLIER -60.25 -42.91 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.45 -31.11 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.51 -38.07 89.72 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.1 0.476 . . . . 0.0 110.313 176.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.49 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.9 mt -65.21 -34.62 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.025 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.23 -43.15 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.318 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -34.58 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.688 ' HG ' ' N ' ' A' ' 751' ' ' GLY . 1.2 m -102.17 28.49 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.42 -176.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.459 ' HG2' HD12 ' A' ' 763' ' ' LEU . 0.1 OUTLIER -68.67 96.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 -179.204 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 129.8 -9.44 6.07 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.517 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 818' ' ' ASP . . . . . 0.835 ' HB2' ' HA ' ' A' ' 752' ' ' SER . 24.9 t70 -81.78 -21.23 37.89 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.167 0.508 . . . . 0.0 110.796 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.0 -65.82 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.008 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.62 -51.92 55.7 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.844 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.15 -32.22 71.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.919 0.39 . . . . 0.0 110.692 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.49 ' HG2' HG23 ' A' ' 812' ' ' ILE . 45.9 mtp -64.49 -51.44 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.522 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 56.5 t -63.78 -38.42 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 3.9 tpt180 -57.36 -54.33 48.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.677 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.761 ' HA ' HD12 ' A' ' 828' ' ' ILE . 44.8 mm-40 -64.86 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.18 74.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -70.36 -32.55 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.592 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.9 mt -72.6 -39.71 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.698 ' HG ' HG23 ' A' ' 867' ' ' THR . 9.5 tp -53.41 -48.93 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.681 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.78 -43.48 80.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.28 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.734 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.94 -49.53 74.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.875 -176.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -66.5 -40.18 89.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.2 m -62.0 -35.61 79.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -41.48 75.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.334 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.75 -51.85 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.486 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.673 HG13 ' HB1' ' A' ' 860' ' ' ALA . 79.8 t -59.58 -42.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.976 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.65 -38.48 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.074 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.89 93.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.519 HG23 HD22 ' A' ' 856' ' ' LEU . 9.2 mt -62.62 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.724 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -56.73 -39.87 74.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.868 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.05 -40.53 53.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -58.18 -48.58 79.86 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.305 0.574 . . . . 0.0 110.625 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -64.21 -21.17 66.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.237 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.81 -34.64 75.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.966 0.412 . . . . 0.0 110.777 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -120.03 38.15 2.86 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.295 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.437 ' CD ' ' HA ' ' A' ' 789' ' ' ALA . 0.1 OUTLIER -85.67 151.52 23.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.869 0.366 . . . . 0.0 110.57 179.213 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 6.0 m -83.42 -22.02 32.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.622 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 8.7 t70 -110.8 103.14 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 175.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.457 ' HA ' ' OG ' ' A' ' 853' ' ' SER . 1.2 mt -73.67 -11.38 60.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.83 -174.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 49.1 tp10 -78.56 -47.17 17.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.622 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 4.3 t30 -59.96 -41.43 91.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.794 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.565 ' HA ' HD12 ' A' ' 856' ' ' LEU . 31.3 p -61.8 -39.8 93.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.221 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -46.52 87.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.083 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 12.3 mmtt -55.99 -43.87 78.06 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.543 0.687 . . . . 0.0 110.132 174.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 853' ' ' SER . 10.2 mt -52.44 -49.73 64.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.822 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.78 -22.65 56.2 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.312 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 5.8 m -72.06 -46.22 57.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.658 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.673 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.34 -32.78 72.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 861' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 0.0 OUTLIER -62.05 -49.88 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.065 176.245 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 859' ' ' ALA . 3.8 mt -58.98 -39.69 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.23 -57.02 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.015 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.497 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -71.4 -38.0 71.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.318 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 865' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.4 OUTLIER -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.156 -178.38 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.33 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.777 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.698 HG23 ' HG ' ' A' ' 829' ' ' LEU . 79.7 m -65.13 -39.89 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.66 -39.84 95.35 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.384 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -33.64 74.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 177.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -49.0 65.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -31.38 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.41 0.624 . . . . 0.0 109.877 176.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 27.4 tt0 -66.53 -49.24 67.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.388 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.39 -43.14 74.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.592 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.09 79.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.238 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -77.09 -41.77 40.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.99 -35.28 89.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.144 -0.55 . . . . 0.0 113.05 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -101.66 28.95 5.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 111.249 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -84.26 49.69 1.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.977 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 56.56 -105.23 0.26 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.084 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -116.21 105.05 51.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.4 50.64 3.24 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 123.102 2.535 . . . . 0.0 113.628 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -91.09 79.94 5.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.56 -16.63 13.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.112 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -126.19 43.66 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.721 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 53.89 67.47 1.0 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.707 0.629 . . . . 0.0 110.499 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -80.28 67.41 6.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.564 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.58 69.07 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.523 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -78.84 144.41 35.05 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.116 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.77 79.02 4.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.111 0.482 . . . . 0.0 110.495 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.14 81.51 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.959 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 83.65 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.275 0.559 . . . . 0.0 111.592 -175.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -134.27 32.82 3.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.742 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 64.15 -91.56 0.03 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.372 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -145.91 25.55 1.28 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.422 0.629 . . . . 0.0 109.751 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.637 HG21 ' HB3' ' A' ' 764' ' ' LEU . 0.0 OUTLIER -112.93 93.94 4.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.806 -176.1 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.99 -14.75 17.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.387 176.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -132.32 170.34 15.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.513 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 88.6 102.2 0.98 Allowed Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.624 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -37.16 80.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.961 0.41 . . . . 0.0 110.597 -178.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -53.9 52.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.599 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 764' ' ' LEU . . . . . 0.637 ' HB3' HG21 ' A' ' 758' ' ' THR . 0.8 OUTLIER -73.53 -31.97 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.569 -176.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -65.78 -49.69 67.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -75.98 -58.33 3.77 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.575 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.64 -40.63 62.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.601 0.239 . . . . 0.0 111.396 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.91 -47.33 90.79 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.587 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.93 86.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.65 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.645 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 771' ' ' ALA . . . . . 0.436 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -62.77 -46.16 89.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.774 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.9 m -61.35 -29.16 69.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.91 93.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.46 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.64 -43.26 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.333 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 775' ' ' THR . . . . . 0.67 HG23 HD11 ' A' ' 806' ' ' LEU . 0.7 OUTLIER -54.55 -45.28 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.995 177.285 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -68.94 -44.85 72.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.077 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.43 97.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.244 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 806' ' ' LEU . 1.0 OUTLIER -63.4 -45.65 90.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.421 178.241 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -60.7 -41.61 95.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.391 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.59 -48.69 80.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.01 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.666 HD21 HD11 ' A' ' 840' ' ' ILE . 1.1 tp -65.68 -45.21 83.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.613 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.73 -43.54 94.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 110.657 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.9 -42.03 98.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.47 0.652 . . . . 0.0 110.176 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -68.33 -44.44 75.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.625 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 781' ' ' LEU . 58.4 t -72.65 -23.62 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.333 0.587 . . . . 0.0 110.892 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -66.33 -15.47 63.28 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.954 -0.466 . . . . 0.0 111.931 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -123.19 -11.91 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -140.14 163.63 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.42 ' HB2' HD11 ' A' ' 856' ' ' LEU . . . 65.28 -84.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.347 0.404 . . . . 0.0 110.222 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.805 ' HA ' ' HA ' ' A' ' 795' ' ' ALA . 2.1 m -78.51 84.83 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.383 0.611 . . . . 0.0 110.149 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 128.84 9.37 3.5 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.472 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -151.45 -53.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.457 . . . . 0.0 110.518 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -103.66 -128.33 6.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.033 -0.604 . . . . 0.0 112.552 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.65 -21.14 29.76 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.889 2.392 . . . . 0.0 112.948 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.805 ' HA ' ' HA ' ' A' ' 790' ' ' THR . . . 58.19 65.1 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.223 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -75.05 158.27 50.91 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -113.77 114.37 26.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 117.374 0.587 . . . . 0.0 111.369 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -131.77 29.47 4.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.195 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -71.53 -31.88 67.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.067 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -77.41 -38.23 50.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.043 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.38 94.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.643 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -42.88 95.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.127 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.08 -44.42 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.972 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 90.9 m -59.09 -45.35 91.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.526 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 829' ' ' LEU . 34.6 mt -56.96 -58.0 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.709 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.67 HD11 HG23 ' A' ' 775' ' ' THR . 8.4 tp -59.95 -33.33 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.698 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.8 m -64.59 -42.61 95.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.637 HG11 ' HB2' ' A' ' 829' ' ' LEU . 19.1 t -64.15 -43.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.805 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.436 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -62.28 -40.3 95.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.264 178.359 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.73 -42.27 99.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.371 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.19 -42.26 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.17 -39.2 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.44 -45.37 91.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.065 0.459 . . . . 0.0 110.416 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -45.34 71.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.259 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.2 19.98 3.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.7 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.415 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.0 OUTLIER -60.91 105.84 0.51 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.246 0.546 . . . . 0.0 110.055 177.556 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.34 -38.45 1.8 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -175.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.72 86.05 7.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.478 ' HB1' ' HA ' ' A' ' 878' ' ' ALA . . . -54.67 -37.75 66.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.88 -176.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.15 60.63 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.44 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.415 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 23.6 mtp -59.5 -49.98 75.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.9 -39.46 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.356 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -57.67 -52.6 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.781 ' HA ' HD12 ' A' ' 828' ' ' ILE . 45.3 mm-40 -62.54 -41.68 99.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.699 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.99 71.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.82 0.343 . . . . 0.0 111.405 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.46 -42.62 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.449 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 825' ' ' GLN . 5.3 mt -66.89 -36.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 176.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.637 ' HB2' HG11 ' A' ' 808' ' ' VAL . 12.8 tp -57.72 -49.05 77.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.291 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -61.41 -34.25 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.072 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.62 -49.58 31.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.19 86.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.677 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.429 ' HA ' HD11 ' A' ' 805' ' ' ILE . 6.6 m -64.83 -35.22 80.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.53 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.6 m -62.57 -41.22 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 110.436 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -38.87 84.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.132 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.45 -51.61 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.823 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -41.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.25 -44.83 95.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.658 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.11 87.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.666 HD11 HD21 ' A' ' 781' ' ' LEU . 3.6 mt -69.19 -40.0 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.672 178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.437 ' HD3' HD22 ' A' ' 857' ' ' LEU . 0.1 OUTLIER -56.68 -40.38 75.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.605 178.441 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.32 45.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.292 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -46.89 69.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.698 -175.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.68 -24.59 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.629 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.61 69.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.029 0.443 . . . . 0.0 110.659 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -88.05 -5.1 77.42 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.993 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.483 ' HG2' ' ND2' ' A' ' 852' ' ' ASN . 8.5 tp10 -75.4 128.72 35.99 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.36 -27.76 61.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.66 -177.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -77.06 96.89 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -41.5 98.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.453 -177.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.5 OUTLIER -62.45 -49.67 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.428 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.483 ' ND2' ' HG2' ' A' ' 847' ' ' GLU . 0.7 OUTLIER -63.8 -35.35 80.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.449 178.258 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 16.2 t -57.58 -47.42 82.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.748 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -42.9 95.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 31.9 mmtt -59.93 -41.65 92.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.463 0.649 . . . . 0.0 109.955 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 853' ' ' SER . 5.9 mt -59.04 -49.86 76.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.494 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.437 HD22 ' HD3' ' A' ' 841' ' ' LYS . 1.1 mt -75.84 -25.85 56.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.205 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.454 ' O ' HG13 ' A' ' 862' ' ' ILE . 68.4 m -70.21 -42.25 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -65.39 -43.29 91.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 176.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.35 72.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.757 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -33.64 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 859' ' ' ALA . 10.5 mt -71.51 -37.81 65.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.76 -53.67 48.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 176.597 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.48 90.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.031 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.55 -56.66 18.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.957 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.9 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.575 HG23 ' HG ' ' A' ' 829' ' ' LEU . 85.6 m -64.74 -42.91 94.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.11 -38.24 90.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.534 177.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -40.6 95.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.791 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -48.46 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.072 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.1 mm-40 -75.93 -36.08 59.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.32 -49.4 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.19 93.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -69.72 -39.76 76.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.68 -32.89 70.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.64 57.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.903 0.382 . . . . 0.0 111.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.745 ' HB1' ' HG3' ' A' ' 881' ' ' PRO . . . -70.91 112.81 7.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.939 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -70.54 -70.56 0.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.017 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -143.38 84.61 10.05 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.605 0.717 . . . . 0.0 109.825 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.745 ' HG3' ' HB1' ' A' ' 878' ' ' ALA . 94.8 Cg_endo -104.92 -175.47 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.961 3.107 . . . . 0.0 112.886 175.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 24.6 t0 73.91 -43.39 0.54 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.802 0.841 . . . . 0.0 113.165 170.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -46.12 87.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.908 -178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 54.0 50.69 16.16 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.427 0.632 . . . . 0.0 109.717 -175.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.29 -145.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.967 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.13 12.82 5.88 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.571 0.748 . . . . 0.0 111.165 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -178.66 86.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.807 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -95.62 -24.82 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.209 0.528 . . . . 0.0 109.903 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.994 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -72.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.921 0.391 . . . . 0.0 110.581 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -161.74 61.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.83 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -156.73 110.21 2.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 60.71 57.22 2.75 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.292 172.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.94 72.94 4.79 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -83.77 170.01 14.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.68 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.91 69.91 5.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.579 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -84.12 60.69 6.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.871 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.63 126.71 49.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.637 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 160.29 168.73 22.64 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.58 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 762' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 762' ' ' GLN . 2.1 tp60 -89.25 49.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.318 0.58 . . . . 0.0 110.051 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.94 -65.0 0.73 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.561 -173.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.77 -22.67 34.21 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.107 -176.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -50.92 26.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.384 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -87.97 -57.0 1.97 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.485 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 767' ' ' VAL . . . . . 0.457 HG21 ' HE1' ' A' ' 822' ' ' MET . 5.8 t -64.02 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.49 0.186 . . . . 0.0 111.18 -176.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -59.06 -47.5 90.49 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.498 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.07 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.91 61.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.74 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 95.5 m -59.4 -40.13 85.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.894 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.12 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.11 -47.16 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.4 m -56.89 -43.68 81.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.54 -27.14 45.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.66 77.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 802' ' ' THR . 4.4 tp -63.86 -44.24 93.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.271 175.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -57.84 -45.25 86.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.353 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -58.78 -45.83 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.637 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.687 HD11 HD13 ' A' ' 840' ' ' ILE . 1.2 tp -62.39 -49.52 75.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.586 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 786' ' ' LYS . 18.7 mt -57.52 -46.24 84.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -46.33 87.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.595 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.562 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 34.7 t60 -67.04 -44.96 78.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.4 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.433 HG22 HD22 ' A' ' 856' ' ' LEU . 90.5 t -68.89 -43.93 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 111.015 -177.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 786' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -56.5 -36.61 69.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.747 -176.27 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -105.0 22.95 14.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 2.8 m-70 -143.99 -11.14 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.367 0.876 . . . . 0.0 113.367 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.715 ' HB1' ' HA ' ' A' ' 795' ' ' ALA . . . -59.13 146.57 38.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.422 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.6 HG21 ' HB2' ' A' ' 848' ' ' SER . 1.8 m -108.01 121.15 44.21 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.496 -0.481 . . . . 0.0 112.097 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 64.25 -148.6 51.04 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.484 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -111.36 -0.36 16.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.997 0.427 . . . . 0.0 110.141 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -76.94 -87.73 0.35 Allowed Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.01 64.33 5.1 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.589 2.192 . . . . 0.0 111.496 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.715 ' HA ' ' HB1' ' A' ' 789' ' ' ALA . . . -125.42 25.56 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.562 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -66.53 118.78 11.28 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.578 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 797' ' ' ARG . 0.0 OUTLIER -89.18 -2.72 58.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.519 0.2 . . . . 0.0 110.819 -178.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 840' ' ' ILE . 7.1 m-85 52.43 44.87 29.48 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.32 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -63.19 -46.94 84.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.25 -171.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -44.48 95.78 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.79 -178.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 801' ' ' ALA . . . . . 0.456 ' O ' HD12 ' A' ' 805' ' ' ILE . . . -62.56 -50.19 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.9 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.566 ' HA ' HD11 ' A' ' 778' ' ' LEU . 12.8 p -64.0 -38.77 92.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.97 -48.2 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.65 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 23.6 m -59.15 -45.82 89.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 801' ' ' ALA . 2.8 mt -60.58 -52.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.678 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.71 -52.78 63.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.068 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.7 m -58.02 -43.66 86.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.313 0.383 . . . . 0.0 110.784 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.495 HG13 ' HB3' ' A' ' 825' ' ' GLN . 2.2 t -65.43 -50.29 73.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.067 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 812' ' ' ILE . 3.1 m -66.39 -39.19 88.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.774 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.13 -29.75 69.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.981 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -68.4 -33.55 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.0 mt -66.05 -32.36 57.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 0.0 110.574 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -66.13 -29.11 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -36.85 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.622 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 25.2 p -77.95 -5.89 52.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.451 -177.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.512 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.0 mtt -50.09 112.38 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.281 0.562 . . . . 0.0 110.667 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.9 -34.9 2.87 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -104.59 95.12 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.432 ' HB1' ' CB ' ' A' ' 878' ' ' ALA . . . -57.18 -38.57 73.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.87 -175.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.88 -50.37 66.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.91 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -68.81 -35.97 77.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 24.3 mtp -61.19 -45.73 93.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.4 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.149 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.07 20.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.454 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.812 ' HA ' HD12 ' A' ' 828' ' ' ILE . 83.7 mm-40 -63.46 -41.17 98.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.49 -37.28 72.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 827' ' ' ARG . 8.8 mtp180 -64.72 -43.16 94.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.659 177.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 825' ' ' GLN . 5.9 mt -68.25 -33.9 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.476 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.634 ' HG ' HG23 ' A' ' 867' ' ' THR . 8.4 tp -57.54 -48.79 78.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.107 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.9 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.557 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -43.23 89.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.014 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.68 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.586 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.9 m -64.93 -35.91 82.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 46.2 m -63.89 -27.91 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.292 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.06 -46.07 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.256 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.67 -51.8 68.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.289 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.81 -40.68 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.87 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -67.63 -37.82 83.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.828 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.94 67.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 781' ' ' LEU . 18.6 mt -64.3 -39.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.761 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 21.2 tttt -56.85 -49.24 76.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.94 72.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.258 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -40.59 83.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.003 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -69.17 -23.91 63.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -76.58 56.4 1.12 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.442 0.639 . . . . 0.0 110.331 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 148.42 37.85 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.795 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 162.99 18.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 0.0 110.203 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 848' ' ' SER . . . . . 0.6 ' HB2' HG21 ' A' ' 790' ' ' THR . 0.7 OUTLIER -91.13 -17.76 25.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.702 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -114.44 97.37 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.051 170.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.646 ' HA ' ' OG ' ' A' ' 853' ' ' SER . 58.8 mt -77.72 -8.58 58.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.902 0.382 . . . . 0.0 110.81 -175.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -49.21 14.14 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.617 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 18.2 t30 -59.39 -46.08 89.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.104 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.872 ' HA ' HD12 ' A' ' 856' ' ' LEU . 2.9 p -57.89 -40.46 80.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.042 -178.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 850' ' ' LEU . 7.8 mtp180 -61.41 -40.02 92.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.913 0.387 . . . . 0.0 110.394 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 0.5 OUTLIER -71.34 -32.79 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.056 179.011 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.872 HD12 ' HA ' ' A' ' 853' ' ' SER . 87.6 mt -57.86 -41.71 83.0 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.617 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 7.4 mt -75.41 -29.23 59.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.545 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.8 -35.62 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.408 . . . . 0.0 110.384 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.21 77.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.273 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.56 -28.34 69.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.923 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -44.48 96.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.536 ' H ' HG13 ' A' ' 862' ' ' ILE . 0.6 OUTLIER -66.37 -36.96 78.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.164 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.7 OUTLIER -54.95 -51.86 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.223 177.387 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.8 82.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.299 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.57 -46.95 87.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.379 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.793 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.634 HG23 ' HG ' ' A' ' 829' ' ' LEU . 93.5 m -64.42 -39.98 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.865 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.25 -39.61 95.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.223 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.68 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.31 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.496 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.773 178.569 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -36.56 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.233 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 3.7 tt0 -66.64 -45.46 78.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.586 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.18 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.507 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.83 98.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -74.58 -34.85 62.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.59 -45.38 77.43 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.348 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -73.72 -7.61 52.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 111.23 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.432 ' CB ' ' HB1' ' A' ' 819' ' ' ALA . . . -86.5 -16.31 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.353 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -132.44 -45.86 0.9 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -176.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 880' ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 881' ' ' PRO . 0.1 OUTLIER -95.13 126.79 45.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.725 0.297 . . . . 0.0 111.429 -175.049 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 880' ' ' HIS . 4.8 Cg_exo -75.39 166.71 28.18 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.144 2.563 . . . . 0.0 111.475 173.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -79.56 -19.56 49.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.219 0.533 . . . . 0.0 109.605 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.8 m -48.78 135.32 15.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.084 176.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.5 79.02 9.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.081 -174.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.454 ' HB3' ' H ' ' A' ' 886' ' ' GLN . 1.8 tm-20 59.35 -113.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.927 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.454 ' H ' ' HB3' ' A' ' 885' ' ' GLU . 0.4 OUTLIER 60.0 39.25 20.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.356 0.598 . . . . 0.0 110.787 -178.269 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.78 33.5 2.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.86 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -87.72 86.48 7.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.756 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.298 -0.858 . . . . 0.0 109.906 177.311 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -36.44 82.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.961 0.41 . . . . 0.0 111.553 -176.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -108.27 3.76 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.359 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 2.5 ttt -163.76 114.92 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.108 0.48 . . . . 0.0 111.457 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.47 9.25 10.87 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 69.95 -67.93 0.22 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.782 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -173.64 -141.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.293 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.71 144.77 31.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 66.79 39.56 3.44 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.607 0.567 . . . . 0.0 110.934 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.3 158.2 19.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.624 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 68.82 -163.93 49.75 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.331 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.48 34.38 3.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.799 0.333 . . . . 0.0 110.782 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 763' ' ' LEU . 0.8 OUTLIER -59.52 -64.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.975 -178.702 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 764' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 764' ' ' LEU . 0.9 OUTLIER -89.14 -31.77 17.82 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.621 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 765' ' ' ARG . 10.1 mtp180 -63.02 -42.44 99.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.008 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -98.22 -66.51 0.88 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.325 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 767' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 767' ' ' VAL . 2.2 t -61.48 -51.37 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -174.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 768' ' ' GLY . . . . . 0.41 ' HA3' HD13 ' A' ' 764' ' ' LEU . . . -53.75 -49.66 57.21 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.746 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.45 82.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.261 . . . . 0.0 111.433 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.39 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.131 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.21 99.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.016 0.436 . . . . 0.0 110.657 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 16.9 m -63.54 -37.45 87.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.461 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.46 98.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.06 -46.72 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.482 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 8.0 m -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.085 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.82 -41.85 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.02 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.57 89.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.809 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 802' ' ' THR . 6.3 tp -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.541 178.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.62 -43.42 89.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.529 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -52.31 66.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.687 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 840' ' ' ILE . 1.5 tp -62.83 -38.18 89.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.3 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.9 mt -57.15 -52.42 65.38 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.084 0.24 . . . . 0.0 111.48 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 783' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 783' ' ' GLN . 22.4 mt-30 -62.67 -42.49 99.65 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.243 0.544 . . . . 0.0 110.058 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.456 ' NE2' ' HG ' ' A' ' 856' ' ' LEU . 79.2 t60 -62.62 -48.35 79.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.178 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.469 HG23 ' HG ' ' A' ' 781' ' ' LEU . 18.9 t -65.09 -44.45 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.284 -176.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -59.47 -24.66 63.77 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -107.84 -25.07 11.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.787 0.327 . . . . 0.0 111.312 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -139.38 109.7 6.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.589 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -164.81 -67.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.07 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.13 50.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.528 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 67.69 50.12 44.75 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 59.52 -120.31 1.01 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.701 0.4 . . . . 0.0 110.281 -173.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 60.93 -137.86 48.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.334 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.5 -8.07 17.05 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.688 2.259 . . . . 0.0 112.023 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 56.11 54.85 7.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.662 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 55.97 -140.81 41.07 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.161 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.9 ttp-105 -154.81 91.81 1.41 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.617 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.507 ' N ' ' CD1' ' A' ' 798' ' ' TYR . 0.0 OUTLIER -110.09 13.02 23.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.442 -176.225 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -57.63 -50.02 74.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.341 -173.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -71.4 -35.84 71.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 -176.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.23 -52.03 60.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.775 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.525 ' HA ' HD11 ' A' ' 778' ' ' LEU . 23.2 p -66.49 -38.25 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.468 . . . . 0.0 110.584 -178.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.81 -45.54 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.991 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 89.4 m -61.33 -47.8 84.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.5 mt -59.87 -56.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.099 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.19 -52.55 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.253 -178.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 20.9 m -57.91 -42.97 85.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.221 0.326 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 2.1 t -65.08 -51.62 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.18 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.758 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.0 OUTLIER -63.32 -41.33 98.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 110.792 -178.785 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 22.1 tp10 -66.44 -29.67 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.202 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 27.7 m-20 -64.88 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.581 177.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.1 mt -62.53 -33.34 59.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.655 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 813' ' ' PHE . . . . . 0.427 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 41.7 m-85 -66.27 -37.4 85.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.547 177.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.32 -32.54 55.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.48 19.83 18.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.391 -176.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.569 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 ttm -64.77 98.86 0.29 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.36 -29.74 2.14 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -92.23 106.18 18.24 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -57.93 -47.52 82.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.638 -176.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -65.24 -45.59 90.61 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.569 -175.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.6 tp10 -66.35 -43.08 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.492 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.645 ' HG2' HG23 ' A' ' 812' ' ' ILE . 12.5 mtp -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.18 -38.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.192 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -56.42 -54.87 40.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.674 ' HA ' HD12 ' A' ' 828' ' ' ILE . 69.9 mm-40 -62.35 -42.19 99.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.54 70.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.98 -45.69 76.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.4 mt -65.2 -33.26 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.469 177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.622 ' HG ' HG23 ' A' ' 867' ' ' THR . 5.8 tp -60.07 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.328 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.408 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -60.54 -38.27 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.661 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -64.99 -49.34 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.83 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.92 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.104 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.0 m -65.17 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 56.2 m -61.31 -40.95 96.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.58 -40.67 69.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.15 -51.73 68.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' A' ' 860' ' ' ALA . 79.3 t -65.84 -36.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.581 -177.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -61.29 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.7 89.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.587 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.525 HD11 HD21 ' A' ' 781' ' ' LEU . 10.8 mt -61.69 -41.69 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -50.03 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.63 87.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -45.96 83.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.364 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 847' ' ' GLU . . . -68.01 -33.07 73.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.302 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -65.7 -37.47 86.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -89.01 14.79 59.6 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.62 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 844' ' ' ALA . 1.7 mm-40 -78.87 171.97 14.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.881 0.372 . . . . 0.0 110.266 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.25 -34.5 8.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.749 -176.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -97.73 141.9 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.791 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.499 ' O ' ' HD3' ' A' ' 854' ' ' ARG . 0.7 OUTLIER -75.19 -47.81 26.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.972 -178.413 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.38 -46.98 88.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -59.67 -41.83 91.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.652 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 20.5 t -59.78 -50.49 73.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.238 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 850' ' ' LEU . 1.6 mtp85 -57.64 -45.54 85.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.4 -43.78 71.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.65 0.738 . . . . 0.0 111.031 176.156 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.514 HD22 HG23 ' A' ' 840' ' ' ILE . 3.5 mt -64.5 -49.77 70.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.664 -175.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.72 -25.5 56.66 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.872 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.431 ' O ' HG13 ' A' ' 862' ' ' ILE . 46.5 m -72.0 -41.12 67.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 175.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.8 -42.14 97.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.183 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.601 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.79 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.94 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -63.23 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.15 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.2 mt -63.5 -41.98 94.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.119 176.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -53.36 -56.79 13.87 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.914 177.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -64.75 -47.22 78.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.555 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.05 -45.34 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.459 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.16 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.447 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.622 HG23 ' HG ' ' A' ' 829' ' ' LEU . 95.0 m -66.19 -43.6 86.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.01 -40.56 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 110.39 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -64.43 -35.04 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.195 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.483 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -67.58 -48.95 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.687 177.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -39.04 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.406 . . . . 0.0 110.244 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.9 OUTLIER -68.6 -37.3 79.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.704 179.692 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -71.2 -51.0 27.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.25 89.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -73.7 -25.6 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.047 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -88.43 -13.92 62.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -122.23 22.44 10.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.075 0.464 . . . . 0.0 110.801 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -81.97 58.7 4.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.337 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 48.24 -125.4 1.84 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.4 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -128.96 150.9 76.53 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.92 54.52 2.12 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.903 2.402 . . . . 0.0 112.558 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.55 12.28 29.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.842 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.97 135.13 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.302 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.99 87.59 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.13 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.04 121.46 26.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.548 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -139.79 33.25 1.99 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 55.22 -116.31 1.03 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.718 -171.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -153.56 47.26 0.66 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.672 0.749 . . . . 0.0 109.658 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.666 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.7 40.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.671 0.272 . . . . 0.0 111.042 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 753' ' ' HIS . . . . . 0.604 ' O ' ' HB2' ' A' ' 757' ' ' ALA . 0.1 OUTLIER 56.62 74.6 0.39 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.108 -176.694 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -30.84 70.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.188 177.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.15 131.03 55.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.036 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 60.53 42.77 13.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.765 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 753' ' ' HIS . . . -77.7 149.51 34.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.983 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.83 -6.66 12.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.235 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -81.28 56.86 3.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.237 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.43 124.16 48.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.46 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -138.84 -150.5 5.59 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.438 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -32.84 5.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.802 0.334 . . . . 0.0 110.542 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.623 HD22 ' HB1' ' A' ' 877' ' ' ALA . 0.6 OUTLIER -60.39 -57.66 11.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.489 -176.679 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.48 -37.31 23.3 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.263 -176.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -66.77 -47.54 71.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.251 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -83.76 -63.37 1.69 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.603 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.46 -43.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.51 0.195 . . . . 0.0 111.234 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.07 -48.01 85.55 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.678 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.52 -40.11 85.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.719 0.295 . . . . 0.0 111.07 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.03 75.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.25 82.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 14.8 m -63.85 -32.11 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.009 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.56 96.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.461 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.99 -41.09 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.3 m -59.26 -48.85 80.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -67.75 -42.06 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 777' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 780' ' ' GLU . . . -63.14 -41.14 99.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.576 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.771 HD22 ' HG ' ' A' ' 806' ' ' LEU . 1.1 tp -64.49 -45.43 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.769 0.319 . . . . 0.0 110.388 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.47 -33.59 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 780' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 777' ' ' ALA . 10.0 mm-40 -58.93 -53.01 63.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.999 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -63.58 -46.99 83.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.16 -178.269 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.4 mt -55.64 -57.69 10.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.711 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -62.4 -29.9 70.82 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 110.717 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 856' ' ' LEU . 1.6 t60 -73.73 -44.13 57.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.886 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.17 -38.22 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 111.025 -175.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -31.24 71.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.206 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -98.89 -25.3 14.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.83 0.348 . . . . 0.0 111.745 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -125.5 87.32 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.585 ' HB1' ' H ' ' A' ' 795' ' ' ALA . . . -112.48 179.46 3.98 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.864 -173.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.4 ' CG2' ' HB2' ' A' ' 847' ' ' GLU . 0.5 OUTLIER -127.07 39.48 3.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.48 178.702 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -173.83 -163.65 27.66 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.481 -178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -71.27 -36.17 71.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.0 0.428 . . . . 0.0 110.723 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -105.73 -141.19 10.44 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.931 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -87.04 64.49 4.35 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.289 2.659 . . . . 0.0 111.986 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.585 ' H ' ' HB1' ' A' ' 789' ' ' ALA . . . 53.59 53.17 11.93 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.378 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 78.59 -112.89 3.56 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -169.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.74 140.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.385 171.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.87 31.67 4.18 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.86 -45.77 85.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.746 -173.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -37.53 83.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.33 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 801' ' ' ALA . . . . . 0.449 ' O ' HD12 ' A' ' 805' ' ' ILE . . . -67.45 -47.17 70.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.224 -178.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.459 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.1 p -61.67 -37.19 83.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.261 0.553 . . . . 0.0 110.056 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.88 -46.01 91.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.667 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 12.0 m -59.25 -45.61 90.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.995 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 829' ' ' LEU . 1.4 mt -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.252 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' A' ' 778' ' ' LEU . 5.4 mt -58.17 -46.23 86.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.887 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.8 m -58.0 -48.34 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.284 . . . . 0.0 110.767 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 829' ' ' LEU . 17.1 t -62.37 -53.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.396 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.69 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.1 m -61.27 -37.14 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 810' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 5.1 tt0 -68.59 -33.95 74.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.275 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.01 -30.99 72.02 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.763 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -69.51 -26.85 32.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 813' ' ' PHE . . . . . 0.424 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 51.1 m-85 -70.42 -34.53 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.196 0.522 . . . . 0.0 109.865 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -32.2 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.857 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.61 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 54.6 p -90.87 -7.44 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.568 -176.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.645 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.1 ttt -53.13 114.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 111.054 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.26 -25.0 6.44 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.0 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -107.79 98.39 7.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.472 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -53.52 -43.76 68.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.976 -176.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.73 -50.89 60.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.127 -0.558 . . . . 0.0 113.344 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 5.4 tp10 -70.76 -40.02 72.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.913 0.356 . . . . 0.0 110.914 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 19.3 mtp -57.72 -44.31 85.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.74 -40.79 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.472 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.0 OUTLIER -58.35 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.734 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.817 ' HA ' HD12 ' A' ' 828' ' ' ILE . 74.6 mm-40 -63.02 -41.6 99.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.13 -37.03 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -64.26 -43.52 94.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.528 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.2 mt -66.65 -38.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.379 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.658 ' HG ' HG23 ' A' ' 867' ' ' THR . 6.2 tp -57.52 -49.02 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.534 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.05 -38.5 76.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.256 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -71.65 -49.27 41.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.77 80.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.82 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 837' ' ' VAL . 9.4 m -62.58 -38.16 89.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -41.09 87.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.587 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 805' ' ' ILE . 12.1 tp -60.55 -51.67 68.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.144 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.674 HG13 ' HB1' ' A' ' 860' ' ' ALA . 94.9 t -61.83 -43.16 96.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.932 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -63.57 -38.51 91.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.01 -49.31 77.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.886 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 781' ' ' LEU . 7.2 mt -65.41 -42.38 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.685 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -58.14 -45.2 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.823 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 842' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 845' ' ' GLU . . . -69.51 -33.24 72.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.718 -178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.86 -36.79 62.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.039 0.447 . . . . 0.0 110.382 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.404 ' HB3' HD21 ' A' ' 857' ' ' LEU . . . -68.78 -19.38 64.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.672 176.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 845' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 842' ' ' ALA . 25.1 mt-10 -70.74 94.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 174.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 94.34 58.56 1.21 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -172.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.4 ' HB2' ' CG2' ' A' ' 790' ' ' THR . 2.0 pm0 -90.79 162.55 14.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.163 -0.518 . . . . 0.0 111.612 -171.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -70.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.27 175.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -113.7 135.43 53.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.094 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -13.24 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.654 ' O ' ' HD2' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -69.68 -37.54 76.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 176.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.569 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 69.9 m-20 -70.59 -46.61 63.13 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.036 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.642 ' HA ' HD12 ' A' ' 856' ' ' LEU . 56.3 p -59.4 -45.28 91.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.631 -173.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -59.34 -44.79 92.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.614 0.245 . . . . 0.0 110.859 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 851' ' ' GLU . 6.0 mttp -65.42 -38.96 91.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.422 0.629 . . . . 0.0 109.956 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 853' ' ' SER . 15.8 mt -58.92 -49.92 76.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.396 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.404 HD21 ' HB3' ' A' ' 844' ' ' ALA . 4.3 mt -75.77 -26.22 57.17 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.02 -176.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 862' ' ' ILE . 42.5 m -75.12 -41.53 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.423 177.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.445 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -64.77 -42.43 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 177.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.674 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.78 -32.11 73.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -63.66 -41.14 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.693 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 859' ' ' ALA . 9.4 mt -64.42 -37.66 80.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.224 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.488 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.5 OUTLIER -53.87 -54.57 36.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.467 177.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.54 79.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.222 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.71 -46.39 87.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.96 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.658 HG23 ' HG ' ' A' ' 829' ' ' LEU . 77.9 m -65.53 -39.11 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.203 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.17 98.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.6 81.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.21 177.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.545 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -63.99 -49.37 72.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 176.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.429 HG22 ' HE3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -65.12 -33.51 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.474 178.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.54 -44.96 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.531 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.33 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.307 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.34 87.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.429 ' HE3' HG22 ' A' ' 871' ' ' VAL . 30.7 mttt -73.06 -37.63 66.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.943 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.49 -33.16 71.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.39 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 763' ' ' LEU . . . -90.46 2.66 55.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.975 0.417 . . . . 0.0 110.879 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.472 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -93.19 2.14 56.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -119.1 127.03 52.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.556 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.85 98.0 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.343 0 O-C-N 123.864 0.728 . . . . 0.0 111.672 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -74.93 80.97 2.29 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.911 2.408 . . . . 0.0 111.408 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -92.71 -17.51 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.216 0.531 . . . . 0.0 110.197 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.05 160.76 30.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.555 -176.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.87 114.55 7.29 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 173.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.98 3.37 46.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.137 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -104.48 162.14 13.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.105 0.478 . . . . 0.0 110.504 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -85.69 55.08 3.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.649 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.15 37.3 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.585 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.347 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -45.97 72.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.971 0.415 . . . . 0.0 110.788 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -115.8 -26.23 7.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.994 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.11 127.14 31.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.003 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -77.43 -175.7 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.076 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -123.09 123.5 40.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.207 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -101.6 143.18 31.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.32 124.04 26.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.554 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.83 168.32 9.51 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.714 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -132.38 -4.41 3.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.539 0.685 . . . . 0.0 109.721 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 89.58 43.36 5.21 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 762' ' ' GLN . . . . . 0.614 ' HB2' ' H ' ' A' ' 766' ' ' GLY . 8.8 pt20 -78.32 61.04 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.304 0.574 . . . . 0.0 111.323 -176.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.447 HD22 ' HB1' ' A' ' 877' ' ' ALA . 0.5 OUTLIER -62.55 -51.85 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.749 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.52 -22.59 21.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.201 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.555 ' HB3' ' HB2' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -78.63 -66.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.183 -178.636 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 766' ' ' GLY . . . . . 0.614 ' H ' ' HB2' ' A' ' 762' ' ' GLN . . . -69.48 -56.93 7.88 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.31 -176.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.93 -40.54 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.527 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.55 65.59 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.4 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.61 95.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 770' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -65.25 -47.94 75.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.364 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.39 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 50.3 m -62.66 -40.61 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.445 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.36 95.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.45 -49.94 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.9 m -58.44 -40.06 81.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.902 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -70.6 -45.95 64.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.59 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.11 0.481 . . . . 0.0 110.671 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.707 HD11 ' HA ' ' A' ' 802' ' ' THR . 5.0 tp -63.16 -44.31 95.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.426 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.1 -37.64 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.95 -47.29 85.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.25 0.548 . . . . 0.0 110.358 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -67.63 -39.12 84.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.404 177.855 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 782' ' ' LEU . 8.4 mt -56.0 -53.9 51.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.472 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -59.18 -44.42 92.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.252 0.548 . . . . 0.0 110.192 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.566 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 58.6 t60 -64.21 -46.66 82.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.389 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.409 HG23 ' HG ' ' A' ' 781' ' ' LEU . 42.2 t -66.22 -44.32 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.61 0.243 . . . . 0.0 111.208 -177.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -55.56 -36.49 66.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.975 -176.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -109.35 8.24 25.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 84.1 m-70 -142.37 61.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 0.0 110.874 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -133.31 111.95 11.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.243 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.7 165.72 17.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.594 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 77.11 -99.71 1.44 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.794 174.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -78.56 59.66 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.457 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . 95.37 129.65 5.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.248 174.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.457 ' HD3' ' HA2' ' A' ' 793' ' ' GLY . 10.3 Cg_exo -71.24 -19.21 29.66 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.992 2.461 . . . . 0.0 111.533 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -160.19 -167.42 1.93 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.417 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 63.41 29.59 75.02 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.115 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.455 ' HB3' ' CE1' ' A' ' 798' ' ' TYR . 2.8 mtp180 -99.22 -54.06 3.07 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -135.35 24.32 3.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.039 0.447 . . . . 0.0 109.797 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -64.87 -33.99 77.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.849 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -39.45 51.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -62.03 -48.02 82.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.116 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.707 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.201 0.524 . . . . 0.0 110.565 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.03 -50.29 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.891 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.0 m -61.16 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.499 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 829' ' ' LEU . 6.5 mt -58.54 -51.41 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.589 0.233 . . . . 0.0 111.05 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -51.4 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.9 m -61.2 -42.2 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.403 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.23 -52.16 63.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.74 0.305 . . . . 0.0 110.987 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.719 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.2 m -63.02 -39.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -40.36 86.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.294 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -63.45 -37.84 88.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 809' ' ' THR . 5.2 mt -61.06 -38.39 79.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 110.408 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -62.54 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -28.9 64.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.543 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -103.98 22.66 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.417 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.9 ttm -63.09 102.37 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 136.27 -33.41 2.37 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -176.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -87.76 87.33 7.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -53.35 -42.86 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.896 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.95 -44.7 96.92 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.578 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.04 -40.95 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.386 . . . . 0.0 110.545 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.417 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 22.8 mtp -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.11 -41.24 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.362 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -54.74 40.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.54 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.666 ' HA ' HD12 ' A' ' 828' ' ' ILE . 56.4 mm-40 -63.84 -40.54 96.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.662 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.81 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -62.82 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.396 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 825' ' ' GLN . 16.7 mt -67.5 -42.97 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 176.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.603 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.9 tp -54.76 -48.82 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.149 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.85 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.88 -43.79 78.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.5 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.634 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.32 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.3 m -59.62 -38.2 80.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.11 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -42.78 78.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.32 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.471 HD23 ' HG ' ' A' ' 863' ' ' LEU . 24.9 tp -61.16 -52.16 66.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.489 HG13 ' HB1' ' A' ' 860' ' ' ALA . 87.8 t -63.61 -43.66 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.032 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.736 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.53 69.23 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.561 HD13 HD11 ' A' ' 781' ' ' LEU . 47.8 mt -61.68 -45.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.167 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER -54.9 -49.95 69.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 -179.035 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.07 -40.28 68.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.403 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -73.0 -45.7 56.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.731 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 853' ' ' SER . . . -64.79 -28.43 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.604 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -67.04 -18.08 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.381 . . . . 0.0 110.909 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -107.46 -0.75 35.01 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.931 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.13 133.73 48.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.02 0.438 . . . . 0.0 110.306 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -44.2 90.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.517 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 852' ' ' ASN . 4.3 t70 -86.25 100.37 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.515 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 850' ' ' LEU . 1.4 mm? -68.59 -25.88 65.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.501 -174.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.414 ' O ' ' HD2' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -64.26 -40.65 96.42 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.475 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.589 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 74.8 m-20 -58.69 -55.94 28.65 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.915 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.804 ' HA ' HD12 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -57.52 -45.54 84.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.103 -175.814 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.34 -38.99 69.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 110.67 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 851' ' ' GLU . 3.5 mttt -77.25 -37.69 52.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.093 177.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 853' ' ' SER . 76.0 mt -58.52 -49.73 76.32 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.121 0.486 . . . . 0.0 111.119 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.5 mt -69.62 -30.26 67.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.996 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.1 m -72.04 -42.51 66.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.59 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.69 -39.29 93.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.369 176.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.489 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.91 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.247 176.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 859' ' ' ALA . 6.4 mt -68.15 -42.17 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.816 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.501 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -52.48 -54.62 29.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.666 177.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.49 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.221 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.8 75.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.123 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.603 HG23 ' HG ' ' A' ' 829' ' ' LEU . 91.6 m -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.347 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.1 94.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -59.23 -41.89 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.971 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.579 ' HA ' ' HB1' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -61.71 -50.91 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.91 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -36.82 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.642 -178.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.73 -39.7 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.628 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.16 -48.53 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.093 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.54 94.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.236 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -69.59 -37.98 77.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.71 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.31 -34.67 88.66 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.462 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.447 ' HB1' HD22 ' A' ' 763' ' ' LEU . . . -82.96 -6.14 59.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 0.0 110.73 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -100.2 52.59 0.9 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.951 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -88.22 -42.54 12.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 880' ' ' HIS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 881' ' ' PRO . 7.2 p80 -157.69 142.59 12.06 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.419 175.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 880' ' ' HIS . 7.3 Cg_exo -73.01 67.5 4.06 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.159 2.573 . . . . 0.0 112.222 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -90.56 50.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.414 0.626 . . . . 0.0 110.421 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 884' ' ' GLU . 0.1 OUTLIER -89.89 -155.3 0.36 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.584 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 884' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 883' ' ' SER . 1.7 mp0 75.92 -70.97 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.538 0.735 . . . . 0.0 111.734 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.456 ' HB3' ' H ' ' A' ' 886' ' ' GLN . 4.3 tm-20 57.2 -103.31 0.18 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.08 -174.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.456 ' H ' ' HB3' ' A' ' 885' ' ' GLU . 2.1 tt0 -155.58 -65.67 0.12 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.549 175.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -179.83 104.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.997 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -72.58 -34.17 67.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.18 0.514 . . . . 0.0 109.714 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 889' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.236 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.69 134.48 54.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 0.0 110.636 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -139.21 54.21 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.23 0.538 . . . . 0.0 110.024 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 7.7 ttt -148.08 85.07 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.088 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -96.74 -161.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.458 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -67.52 -40.57 85.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.123 0.487 . . . . 0.0 110.152 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -86.09 75.52 9.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.998 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -42.33 98.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.199 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.2 159.73 28.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.438 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.97 133.64 47.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.459 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 150.51 -147.5 17.67 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.624 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -39.89 69.32 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.369 0.268 . . . . 0.0 111.436 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.69 HD12 ' HG2' ' A' ' 816' ' ' MET . 1.0 OUTLIER -63.64 -41.99 98.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.979 0.419 . . . . 0.0 111.118 -177.652 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 6.9 tp -85.41 -17.47 36.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.942 0.401 . . . . 0.0 110.813 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -48.09 81.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.314 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -98.2 -65.4 0.87 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 5.1 t -57.23 -49.22 80.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.561 0.219 . . . . 0.0 111.335 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.86 -48.89 75.0 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.732 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.81 80.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.667 0.27 . . . . 0.0 111.196 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.64 94.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.291 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.72 95.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 110.608 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -38.37 90.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.599 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.1 93.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.935 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.33 -46.91 91.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 110.426 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.4 m -58.33 -40.79 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.928 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -44.78 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.48 89.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.604 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.611 HD11 ' HA ' ' A' ' 802' ' ' THR . 5.4 tp -64.14 -48.33 76.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.516 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 779' ' ' ASN . . . . . 0.518 ' O ' ' HG3' ' A' ' 783' ' ' GLN . 7.4 m-80 -60.13 -40.56 90.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.62 -55.42 35.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.478 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 785' ' ' VAL . 0.8 OUTLIER -61.64 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.586 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.7 mt -51.79 -56.65 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -177.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 783' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 779' ' ' ASN . 31.0 mt-30 -61.78 -38.95 89.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.765 -178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -66.08 -43.3 87.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.19 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.485 HG12 ' HD2' ' A' ' 797' ' ' ARG . 71.1 t -73.31 -38.8 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.921 -178.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.1 -16.94 63.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.577 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -99.63 3.44 45.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 110.846 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.429 ' HB3' ' H ' ' A' ' 789' ' ' ALA . 75.3 m-70 -147.62 -132.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.429 ' H ' ' HB3' ' A' ' 788' ' ' HIS . . . 73.69 171.98 0.3 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.326 0.65 . . . . 0.0 112.499 172.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.455 HG21 ' HA ' ' A' ' 847' ' ' GLU . 0.0 OUTLIER -122.29 61.96 0.97 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.216 177.265 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -94.82 151.91 20.29 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.174 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -79.67 -26.3 41.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.503 . . . . 0.0 109.789 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -99.84 172.37 24.65 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.269 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.82 85.08 1.53 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.145 2.563 . . . . 0.0 111.367 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.542 ' O ' ' HD3' ' A' ' 797' ' ' ARG . . . 66.03 20.95 11.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.545 -178.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -85.36 85.06 1.57 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 173.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 795' ' ' ALA . 0.0 OUTLIER -104.51 -76.44 0.6 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.667 0.27 . . . . 0.0 111.475 -171.098 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 52.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -40.19 77.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.266 -174.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.39 -44.32 83.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.806 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.81 71.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.611 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.7 OUTLIER -63.34 -42.33 98.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -177.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.74 -48.09 83.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.787 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 32.4 m -60.11 -47.53 85.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.482 HG21 HD13 ' A' ' 778' ' ' LEU . 6.1 mt -57.97 -53.14 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.742 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.38 -52.76 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.181 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.6 m -57.93 -42.81 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.121 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 10.1 t -68.54 -48.38 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.326 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.683 ' HA ' HD12 ' A' ' 812' ' ' ILE . 2.1 m -65.36 -39.57 92.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.063 0.459 . . . . 0.0 110.72 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -30.71 70.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 176.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.8 -34.58 78.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.945 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -66.21 -29.89 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.597 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.34 -39.46 93.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.12 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -27.33 53.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.646 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 23.7 p -94.15 -1.2 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.528 -176.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.69 ' HG2' HD12 ' A' ' 763' ' ' LEU . 2.7 ttm -59.62 101.19 0.1 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.247 0.546 . . . . 0.0 110.453 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 140.67 -40.35 1.38 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -100.07 85.56 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.836 ' HB1' ' HA ' ' A' ' 878' ' ' ALA . . . -62.26 -25.59 67.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.927 -173.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.81 98.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.495 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.419 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 18.8 tp10 -72.52 -34.18 67.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.664 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 32.1 mtp -59.94 -51.26 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.99 -37.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.299 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.506 ' HD3' HD11 ' A' ' 828' ' ' ILE . 0.4 OUTLIER -57.88 -52.57 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.135 175.576 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 1.032 ' HA ' HD12 ' A' ' 828' ' ' ILE . 53.8 mm-40 -63.06 -42.25 99.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.458 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -56.69 -37.6 71.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.021 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -42.49 99.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.466 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 1.032 HD12 ' HA ' ' A' ' 825' ' ' GLN . 4.2 mt -66.77 -40.43 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.174 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.581 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.5 tp -56.84 -48.94 76.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.188 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.474 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.63 -44.17 80.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -68.33 -41.13 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.1 86.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.334 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.1 m -66.14 -33.34 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.184 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -43.4 91.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.8 -46.32 82.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.394 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.65 -52.02 66.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.758 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.591 HG13 ' HB1' ' A' ' 860' ' ' ALA . 86.0 t -66.22 -37.42 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.653 0.263 . . . . 0.0 110.971 -175.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -70.16 -35.69 74.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.06 95.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 837' ' ' VAL . 14.0 mt -65.77 -41.41 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.59 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -56.24 -50.64 70.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.99 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.86 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.07 -47.77 60.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.443 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.769 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -61.77 -37.15 83.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.776 -177.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.34 -29.43 70.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -106.52 16.2 41.19 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.186 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.455 ' HA ' HG21 ' A' ' 790' ' ' THR . 0.0 OUTLIER -80.23 154.64 27.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.12 -46.05 17.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.025 -177.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -87.7 93.77 9.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.134 0.493 . . . . 0.0 109.82 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.449 ' HA ' HD22 ' A' ' 850' ' ' LEU . 0.3 OUTLIER -68.64 -9.25 48.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.874 -173.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -41.28 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.863 0.364 . . . . 0.0 110.282 172.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.801 ' HA ' ' HD3' ' A' ' 855' ' ' LYS . 16.7 t30 -68.73 -37.39 79.41 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.709 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.769 ' HB2' ' HB1' ' A' ' 844' ' ' ALA . 13.3 p -58.69 -38.62 78.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.578 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 854' ' ' ARG . 1.8 mmt-85 -61.71 -43.12 99.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.801 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 0.8 OUTLIER -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.363 177.373 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 853' ' ' SER . 93.5 mt -58.7 -49.55 77.18 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.397 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 853' ' ' SER . 8.3 mt -71.31 -31.09 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.044 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.7 m -64.0 -39.55 94.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.525 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.95 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.591 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.4 -27.61 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.83 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.83 99.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.202 176.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.471 ' H ' HG13 ' A' ' 862' ' ' ILE . 2.8 mt -66.83 -41.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.865 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -52.52 -53.8 41.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.404 176.723 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.666 -177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.38 -45.77 91.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.96 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.3 87.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.435 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.581 HG23 ' HG ' ' A' ' 829' ' ' LEU . 82.1 m -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.53 -46.49 85.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -43.43 92.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.115 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.475 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -61.53 -52.17 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.818 178.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.4 HG13 ' HD2' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -62.6 -38.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.164 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.9 mm-40 -74.88 -33.47 62.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.981 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.44 -44.14 68.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.826 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.4 ' HD2' HG13 ' A' ' 871' ' ' VAL . 9.5 mttt -69.67 -42.39 74.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.29 -41.63 94.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.9 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -90.25 35.97 0.87 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.953 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.836 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -84.87 172.01 11.74 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.678 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.93 90.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.502 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 94.26 39.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.574 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.65 -40.97 4.84 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.644 2.229 . . . . 0.0 111.131 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.01 -71.13 0.11 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.133 -176.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.5 161.14 30.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.443 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.8 63.08 4.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.288 0.566 . . . . 0.0 109.549 173.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 123.44 23.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.85 -172.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -128.11 41.89 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.286 175.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.41 53.49 1.66 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.204 -176.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.32 66.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.439 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.498 -178.704 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 112.156 -0.378 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.3 m -78.42 89.99 4.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.328 0.585 . . . . 0.0 110.701 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -148.26 57.59 1.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.514 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.61 91.76 3.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.66 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.69 -168.75 2.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.095 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -76.11 132.81 40.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.289 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.68 106.22 8.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.955 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.42 163.9 25.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 759' ' ' GLU . . . . . 0.409 ' OE1' ' HA ' ' A' ' 759' ' ' GLU . 0.1 OUTLIER -69.81 -87.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 176.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 19.4 t0 177.17 -176.15 0.14 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -108.77 92.49 0.72 Allowed Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.3 44.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.161 0.505 . . . . 0.0 110.803 -177.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.527 ' HA ' HD13 ' A' ' 763' ' ' LEU . 0.8 OUTLIER -69.76 -64.91 0.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.102 -175.449 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 3.7 mt -80.26 -18.0 50.61 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.046 -176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -71.21 -55.42 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.475 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -86.17 -65.54 1.42 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.416 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.6 t -62.92 -40.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.662 0.268 . . . . 0.0 110.79 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.16 -47.54 86.82 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.545 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.83 75.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.313 . . . . 0.0 110.849 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.47 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 771' ' ' ALA . . . . . 0.439 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -62.77 -44.72 95.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.7 m -63.94 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.306 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 33.2 t -65.13 -43.77 95.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.214 176.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 2.5 m -55.8 -45.28 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.743 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 776' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 780' ' ' GLU . 3.5 mm100 -66.39 -50.12 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.931 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 777' ' ' ALA . . . . . 0.426 ' HB1' HD22 ' A' ' 863' ' ' LEU . . . -57.25 -43.9 83.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.559 HD13 HG21 ' A' ' 805' ' ' ILE . 3.9 tp -64.25 -41.89 96.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.48 -41.01 93.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 780' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 70.2 mm-40 -63.24 -45.8 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.655 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.776 HD11 HD13 ' A' ' 840' ' ' ILE . 4.2 tp -61.35 -40.52 94.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.095 -175.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 782' ' ' LEU . 7.0 mt -59.77 -45.87 90.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.134 -177.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -68.5 -37.85 80.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.201 0.524 . . . . 0.0 109.93 176.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -49.52 74.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.358 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 94.0 t -73.3 -41.75 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.589 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 786' ' ' LYS . . . . . 0.46 ' HE2' HD22 ' A' ' 782' ' ' LEU . 0.2 OUTLIER -73.61 -32.31 64.0 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.342 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -105.62 -7.85 18.28 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -172.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -134.27 43.06 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.866 -175.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -129.15 -172.93 2.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.673 0.273 . . . . 0.0 110.56 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.02 -12.97 48.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.839 0.352 . . . . 0.0 111.033 177.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 78.3 -74.58 2.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.205 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -100.82 117.52 35.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.761 0.315 . . . . 0.0 110.635 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 123.73 -123.08 5.11 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.062 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.25 53.69 4.62 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.912 2.408 . . . . 0.0 112.236 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -153.97 84.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.36 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -87.39 138.25 15.19 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.807 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.09 107.79 19.34 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.528 -0.395 . . . . 0.0 110.001 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.09 47.85 1.56 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.49 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -42.57 95.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.631 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.74 -41.8 91.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.483 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -61.41 -46.81 88.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.418 ' O ' HD21 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -62.86 -40.58 97.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 0.0 110.32 178.222 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.46 -42.22 95.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.723 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 20.9 m -59.46 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.619 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.559 HG21 HD13 ' A' ' 778' ' ' LEU . 3.3 mt -57.71 -52.06 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.856 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 778' ' ' LEU . 1.9 mt -54.05 -47.99 71.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.5 m -61.13 -40.13 92.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 25.1 t -66.4 -47.54 83.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.8 m -62.35 -42.11 99.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 0.0 110.615 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.53 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.293 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.602 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 3.9 m-20 -61.79 -43.74 98.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.273 175.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -61.07 -42.13 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -59.77 -38.17 81.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.153 0.501 . . . . 0.0 110.509 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 6.5 m -83.65 -1.82 54.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.409 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.7 m -127.76 26.27 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.953 0.406 . . . . 0.0 110.549 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.69 108.85 1.52 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.757 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.3 -10.24 22.27 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.123 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.28 -31.82 58.47 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.145 0.498 . . . . 0.0 110.564 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.58 -62.61 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.754 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.31 -49.98 72.65 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.403 -0.427 . . . . 0.0 112.966 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.526 ' OE1' ' HD2' ' A' ' 824' ' ' ARG . 6.5 tp10 -64.99 -34.79 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.052 0.453 . . . . 0.0 110.221 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 51.1 mtp -62.85 -47.36 83.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.23 -39.7 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.263 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.668 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 0.1 OUTLIER -55.37 -51.44 66.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.309 175.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 1.024 ' HA ' HD12 ' A' ' 828' ' ' ILE . 55.5 mm-40 -64.79 -39.49 93.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.86 -33.53 70.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.668 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 11.3 mtt180 -64.11 -46.46 84.11 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.126 175.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 1.024 HD12 ' HA ' ' A' ' 825' ' ' GLN . 3.1 mt -63.24 -43.19 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.273 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.607 ' HG ' HG23 ' A' ' 867' ' ' THR . 13.3 tp -58.37 -48.93 79.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.5 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.85 83.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -60.89 -49.14 78.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.141 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.86 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.722 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 8.8 m -66.29 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.0 m -59.8 -42.12 92.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.091 0.472 . . . . 0.0 109.978 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.87 -42.63 66.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.244 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.69 -51.81 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.129 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.635 HG13 ' HB1' ' A' ' 860' ' ' ALA . 64.4 t -61.58 -42.74 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.772 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.63 -36.95 85.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.79 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.776 HD13 HD11 ' A' ' 781' ' ' LEU . 4.7 mt -63.4 -35.99 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.449 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER -55.47 -48.49 74.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 178.128 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.68 62.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.392 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -75.26 -46.48 33.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.917 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -65.46 -18.54 65.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -70.25 -18.33 63.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.343 175.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -102.88 3.67 48.98 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.364 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.36 144.16 48.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -33.14 66.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.532 -174.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.597 ' HB3' ' OD1' ' A' ' 852' ' ' ASN . 39.1 t0 -111.92 141.77 45.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.22 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.27 -21.47 23.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.756 -173.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.4 OUTLIER -63.22 -49.88 72.42 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.947 -178.159 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.597 ' OD1' ' HB3' ' A' ' 849' ' ' ASP . 7.1 p-10 -73.73 -33.56 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.751 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.558 ' HA ' HD12 ' A' ' 856' ' ' LEU . 77.0 p -67.23 -38.63 85.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -60.92 -46.42 90.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.47 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.676 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 13.3 mmtt -56.74 -40.83 76.46 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.656 0.741 . . . . 0.0 110.254 176.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 853' ' ' SER . 5.1 mt -56.17 -49.58 73.59 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.343 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.508 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.2 mt -75.87 -22.69 55.92 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.138 -177.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 862' ' ' ILE . 11.8 m -67.29 -36.33 81.32 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 173.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.673 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -72.14 -38.54 69.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.197 175.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.635 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.34 -33.78 75.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.512 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -64.04 -39.54 94.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.39 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 859' ' ' ALA . 9.7 mt -66.92 -40.42 85.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.993 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 781' ' ' LEU . 0.3 OUTLIER -52.72 -53.35 49.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 176.493 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.02 83.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.344 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.29 -48.65 80.83 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.248 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.85 88.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.879 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.607 HG23 ' HG ' ' A' ' 829' ' ' LEU . 86.2 m -66.15 -38.28 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.935 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.51 -43.15 91.02 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.199 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -33.8 76.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.085 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.439 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -66.07 -50.68 63.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.414 176.456 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -38.89 81.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.324 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 2.1 tt0 -68.52 -37.74 80.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.81 -44.95 65.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.086 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.89 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.391 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -77.84 -32.29 52.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -73.56 -33.93 57.68 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -92.22 1.78 57.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -83.76 55.73 3.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.227 0.537 . . . . 0.0 109.88 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -100.4 -58.17 1.96 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.29 -175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 880' ' ' HIS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 881' ' ' PRO . 0.5 OUTLIER -147.78 107.89 3.75 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.23 -176.099 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 880' ' ' HIS . 11.1 Cg_endo -57.87 -50.8 9.37 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.19 1.927 . . . . 0.0 110.052 169.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 35.74 57.44 0.92 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.771 1.294 . . . . 0.0 112.164 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.79 65.49 2.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.147 -176.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.45 36.65 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.926 177.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -24.04 58.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.814 0.816 . . . . 0.0 109.066 176.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -120.89 120.04 34.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.657 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.17 109.35 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 124.462 1.101 . . . . 0.0 112.6 -175.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.81 53.31 2.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.838 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.474 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 751' ' ' GLY . . . . . 0.439 ' HA3' ' HB2' ' A' ' 755' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.14 -71.24 0.74 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.799 0.333 . . . . 0.0 110.676 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -130.66 -38.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 1.4 ttt -70.92 -20.23 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.142 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 755' ' ' GLN . . . . . 0.439 ' HB2' ' HA3' ' A' ' 751' ' ' GLY . 0.1 OUTLIER -67.18 104.13 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 179.279 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -161.86 -58.55 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.408 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -129.12 40.66 3.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.41 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.14 33.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.624 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.96 136.48 45.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.935 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.54 116.87 7.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.86 -175.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -140.5 68.99 0.47 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.212 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 762' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 885' ' ' GLU . 1.7 mp0 -68.17 -28.34 67.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.849 0.357 . . . . 0.0 110.78 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.42 ' HA ' HD22 ' A' ' 763' ' ' LEU . 0.2 OUTLIER -62.15 -35.26 78.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.237 0.541 . . . . 0.0 110.022 175.668 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.07 -25.86 36.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.334 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.532 ' HB2' ' HA ' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -64.5 -43.82 92.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.359 177.285 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -87.19 -66.94 1.34 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.408 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.41 -44.71 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.552 0.215 . . . . 0.0 111.493 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.37 -54.7 35.52 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.559 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.77 0.319 . . . . 0.0 111.109 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.54 89.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.17 86.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 5.4 m -61.89 -35.15 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.8 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 774' ' ' VAL . . . . . 0.507 HG21 ' HG3' ' A' ' 870' ' ' MET . 41.3 t -63.91 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 775' ' ' THR . . . . . 0.67 HG23 HD21 ' A' ' 806' ' ' LEU . 1.4 m -57.93 -44.79 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -69.22 -48.37 62.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.061 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.18 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.583 HD13 HG21 ' A' ' 805' ' ' ILE . 6.5 tp -61.45 -48.24 82.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.827 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.9 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.77 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.16 -57.7 7.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 110.644 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.525 ' HG ' HG23 ' A' ' 785' ' ' VAL . 1.0 OUTLIER -59.96 -38.7 83.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.359 -176.521 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.37 -54.52 39.42 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -66.42 -37.94 86.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.151 0.5 . . . . 0.0 110.064 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.474 ' NE2' ' HB3' ' A' ' 855' ' ' LYS . 74.2 t60 -64.62 -45.6 86.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.231 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.525 HG23 ' HG ' ' A' ' 781' ' ' LEU . 54.6 t -67.88 -50.74 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.78 0.324 . . . . 0.0 111.581 -176.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -64.61 -12.49 46.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -170.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -120.77 -9.99 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -139.58 58.66 1.61 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.678 0.275 . . . . 0.0 111.353 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.465 ' HB1' ' OD2' ' A' ' 843' ' ' ASP . . . -109.83 -152.42 0.49 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 11.8 m -62.21 120.84 11.72 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.252 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -62.94 -37.8 95.53 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.091 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -87.29 19.64 3.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.817 0.341 . . . . 0.0 111.065 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -134.11 167.21 23.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.671 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.98 17.18 1.8 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.834 2.356 . . . . 0.0 112.473 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 74.27 -47.29 0.63 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.851 0.86 . . . . 0.0 111.409 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 120.51 -156.64 15.98 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.51 110.76 10.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.973 0.416 . . . . 0.0 109.998 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 798' ' ' TYR . 1.3 m-85 -119.28 -11.8 9.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.801 -177.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -44.54 94.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.703 -173.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.71 -47.25 75.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.883 0.373 . . . . 0.0 110.771 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.97 79.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.052 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 778' ' ' LEU . 22.0 p -66.15 -35.01 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.959 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.4 -47.12 86.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.041 0.448 . . . . 0.0 109.997 175.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 7.5 m -59.98 -45.22 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.697 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 778' ' ' LEU . 9.9 mt -60.34 -55.77 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.67 HD21 HG23 ' A' ' 775' ' ' THR . 1.3 mt -56.17 -43.29 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 37.7 m -62.08 -38.12 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 110.269 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.579 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.3 t -62.03 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.445 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -43.26 95.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.062 0.458 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.51 -37.33 83.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.174 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -61.37 -48.53 80.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.785 HG21 ' HE1' ' A' ' 870' ' ' MET . 4.9 mt -61.54 -40.92 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.738 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -59.56 -43.89 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 9.7 m -74.92 -36.34 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.6 m -96.85 21.9 8.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.417 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 4.9 ttm -65.3 104.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.393 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.55 -25.32 4.02 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.935 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -74.0 -28.46 61.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.242 0.544 . . . . 0.0 110.366 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.991 ' HB1' ' HA ' ' A' ' 878' ' ' ALA . . . 70.69 -60.8 0.49 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.424 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.08 -52.88 50.74 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.722 -177.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.22 -34.55 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.062 0.458 . . . . 0.0 110.078 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.463 ' HG2' HG23 ' A' ' 812' ' ' ILE . 33.8 mtp -62.08 -51.49 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.366 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.441 ' O ' ' HD3' ' A' ' 827' ' ' ARG . 95.4 t -62.59 -41.02 90.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -54.98 -53.87 50.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.686 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.771 ' HA ' HD12 ' A' ' 828' ' ' ILE . 68.8 mm-40 -63.55 -39.13 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.15 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.016 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 823' ' ' VAL . 3.5 mpp_? -66.6 -41.27 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.7 mt -69.41 -35.28 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.152 177.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.579 ' HB2' HG11 ' A' ' 808' ' ' VAL . 8.8 tp -57.11 -48.54 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.208 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.436 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -58.95 -36.91 75.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.15 -54.2 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.883 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.71 89.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.086 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 34.1 m -62.02 -37.47 85.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 39.2 m -62.95 -36.9 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.579 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.28 -40.5 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.099 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.44 -52.0 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.789 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.866 ' HA ' HD12 ' A' ' 840' ' ' ILE . 55.8 t -62.42 -33.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.799 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.96 -46.18 88.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.867 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 837' ' ' VAL . 5.4 mt -65.77 -44.37 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.7 OUTLIER -59.61 -36.15 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.022 -179.46 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.57 -46.01 41.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.352 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.465 ' OD2' ' HB1' ' A' ' 789' ' ' ALA . 0.2 OUTLIER -72.26 -39.98 68.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.681 0.276 . . . . 0.0 111.591 -176.053 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.42 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.327 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -76.93 -7.21 55.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.007 0.432 . . . . 0.0 110.889 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -99.31 7.57 60.1 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.551 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -48.48 7.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.512 0.196 . . . . 0.0 110.941 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 1.3 m 62.66 19.1 11.11 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.885 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 850' ' ' LEU . 10.6 t70 -91.01 -26.86 19.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.262 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 61.6 mt 73.82 -57.76 0.61 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.883 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -63.58 -49.41 73.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.786 0.327 . . . . 0.0 110.83 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -71.65 -37.33 70.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.923 0.392 . . . . 0.0 110.383 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 6.5 p -64.9 -45.24 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.44 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 10.7 mtt-85 -59.78 -45.44 92.3 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.742 0.306 . . . . 0.0 110.324 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.474 ' HB3' ' NE2' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.8 -40.55 69.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.498 0.666 . . . . 0.0 110.389 176.43 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 853' ' ' SER . 5.6 mt -65.85 -50.04 66.0 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.317 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -31.9 59.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.934 -175.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 862' ' ' ILE . 52.7 m -66.05 -40.73 91.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.7 -41.32 98.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.082 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.477 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.55 -34.43 76.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.869 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -64.66 -39.97 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.242 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 859' ' ' ALA . 17.4 mt -65.08 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.53 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -54.49 -50.36 67.97 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.281 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.48 81.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.71 -50.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.044 0.449 . . . . 0.0 110.843 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.3 86.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.572 HG23 ' HG ' ' A' ' 829' ' ' LEU . 97.6 m -62.18 -42.76 99.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.96 99.57 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -41.2 96.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.087 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.785 ' HE1' HG21 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -62.35 -51.36 67.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.81 179.099 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -38.08 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.14 -49.49 67.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.753 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -43.64 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.44 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.91 90.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.054 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -30.42 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -80.21 -11.03 84.79 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.733 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -106.1 0.64 25.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.005 0.431 . . . . 0.0 110.743 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.991 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -69.86 114.84 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.73 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 70.64 -64.23 0.38 Allowed 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.117 0.886 . . . . 0.0 111.094 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 880' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 881' ' ' PRO . 1.4 t-80 -118.51 131.83 24.08 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.358 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 880' ' ' HIS . 12.6 Cg_exo -70.34 73.46 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.88 2.386 . . . . 0.0 111.062 174.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.97 28.3 4.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.257 -176.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.53 174.34 6.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.048 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.0 61.37 6.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.402 0.62 . . . . 0.0 109.881 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.649 ' HB2' ' HB3' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -77.46 -29.1 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.45 -174.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -123.41 -31.29 3.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.455 -177.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -99.74 41.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.093 0.473 . . . . 0.0 111.276 -176.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.55 1.69 54.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.334 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.645 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.821 -0.511 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -15.84 62.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.062 0.458 . . . . 0.0 111.045 -178.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -101.19 18.34 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.152 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 754' ' ' MET . . . . . 0.514 ' HB3' ' HG3' ' A' ' 759' ' ' GLU . 0.1 OUTLIER -68.32 -42.41 79.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.098 0.475 . . . . 0.0 109.985 177.078 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 126.36 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.677 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.94 80.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -170.55 -107.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.663 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.735 HG23 ' HB3' ' A' ' 764' ' ' LEU . 0.0 OUTLIER -89.39 4.99 47.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -174.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 759' ' ' GLU . . . . . 0.514 ' HG3' ' HB3' ' A' ' 754' ' ' MET . 1.0 OUTLIER -69.02 100.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.399 -179.254 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.82 26.04 15.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.25 -176.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -106.98 110.3 3.24 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -75.31 -28.41 59.67 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.5 OUTLIER -63.98 -54.02 40.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.564 -178.6 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 764' ' ' LEU . . . . . 0.735 ' HB3' HG23 ' A' ' 758' ' ' THR . 0.1 OUTLIER -70.27 -16.96 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.495 ' HE ' ' HA ' ' A' ' 765' ' ' ARG . 1.8 tpm_? -82.46 -66.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -65.89 -55.79 17.76 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.601 -175.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.27 -39.23 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.733 0.302 . . . . 0.0 110.665 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -60.23 -53.44 45.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.495 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.73 99.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 111.01 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 770' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.1 -45.31 81.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.284 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.97 91.21 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.026 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 89.6 m -61.65 -37.46 84.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.66 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.445 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.13 -44.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.401 . . . . 0.0 110.472 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 775' ' ' THR . . . . . 0.428 HG23 HD21 ' A' ' 806' ' ' LEU . 18.9 m -57.16 -42.24 80.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.99 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.38 -45.44 87.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.08 98.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.737 HD22 ' HG ' ' A' ' 806' ' ' LEU . 0.5 OUTLIER -62.02 -45.55 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.016 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -58.58 -37.87 76.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.3 -54.2 36.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.843 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -64.1 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.156 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 782' ' ' LEU . 4.6 mt -57.1 -45.33 83.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 110.535 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.29 -45.75 83.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.67 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -61.77 -44.35 97.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.679 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.642 HG13 ' HA ' ' A' ' 789' ' ' ALA . 85.5 t -72.64 -29.71 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.97 0.414 . . . . 0.0 111.019 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -25.76 67.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.737 0.304 . . . . 0.0 111.181 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -109.24 -25.18 10.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.351 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -145.22 77.5 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.019 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.767 ' HB3' ' HA ' ' A' ' 795' ' ' ALA . . . -64.84 -67.99 0.39 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.96 0.41 . . . . 0.0 110.08 176.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 790' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 847' ' ' GLU . 0.6 OUTLIER -95.17 -54.88 3.26 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.263 0.554 . . . . 0.0 109.57 171.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 151.3 -101.03 0.21 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.581 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -93.11 -8.81 41.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.268 0.556 . . . . 0.0 109.995 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.468 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . -89.69 -130.5 4.1 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.617 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.468 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 1.1 Cg_endo -84.34 -155.4 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.598 2.865 . . . . 0.0 112.874 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.767 ' HA ' ' HB3' ' A' ' 789' ' ' ALA . . . -136.95 86.1 2.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.68 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -70.87 100.95 0.88 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.104 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -92.04 127.74 37.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.189 0.519 . . . . 0.0 110.933 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.53 36.31 4.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.911 176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -35.94 78.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.702 -172.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -68.38 -39.99 81.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.677 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -63.31 -48.16 79.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.515 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.46 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.6 OUTLIER -62.93 -39.73 95.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.568 178.293 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.41 -47.26 86.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.506 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.3 m -59.25 -45.42 91.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' A' ' 829' ' ' LEU . 20.2 mt -60.76 -53.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.945 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.737 ' HG ' HD22 ' A' ' 778' ' ' LEU . 0.1 OUTLIER -54.37 -46.49 73.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.5 m -61.95 -46.21 90.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 825' ' ' GLN . 2.6 t -57.97 -48.28 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.502 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.3 m -63.16 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.846 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.28 -41.44 98.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.157 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.85 -37.6 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.554 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.9 mt -64.96 -36.52 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.97 -47.4 86.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 110.453 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -35.82 80.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.319 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.0 m -98.52 22.56 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.459 ' HG2' HD12 ' A' ' 763' ' ' LEU . 9.5 ttm -67.09 96.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 0.0 110.456 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.16 -5.52 7.28 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.89 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.26 -22.62 30.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.229 0.538 . . . . 0.0 110.182 176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 67.69 -65.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.438 -1.256 . . . . 0.0 112.102 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.9 62.29 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.546 -0.359 . . . . 0.0 112.888 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -61.09 -38.79 87.52 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 40.0 mtp -60.5 -51.51 69.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.788 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.17 -39.1 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -54.76 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.555 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.624 ' HA ' HD12 ' A' ' 828' ' ' ILE . 50.4 mm-40 -63.38 -40.21 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.87 77.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.29 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -64.9 -42.14 95.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.957 0.408 . . . . 0.0 110.435 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.0 mt -68.12 -37.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.085 175.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.593 ' HB2' HG11 ' A' ' 808' ' ' VAL . 19.8 tp -57.51 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.353 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.513 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -62.08 -39.85 93.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.03 -45.85 83.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.05 69.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.59 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.5 m -62.42 -31.31 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -59.66 -45.73 91.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.02 -39.01 76.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.396 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 840' ' ' ILE . 27.4 tp -60.46 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.993 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.559 HG13 ' HB1' ' A' ' 860' ' ' ALA . 76.7 t -67.27 -40.8 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 0.0 110.554 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.65 -40.31 94.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.82 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.92 91.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.749 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.617 HD11 HD21 ' A' ' 781' ' ' LEU . 5.0 mt -61.62 -44.58 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 177.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.473 ' HA ' HD21 ' A' ' 857' ' ' LEU . 3.2 ttpt -59.61 -38.87 82.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.801 178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -69.64 -39.67 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.262 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.78 -48.77 35.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.289 . . . . 0.0 110.979 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.536 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -62.08 -18.74 61.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.626 -178.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -68.06 -30.79 70.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.177 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -90.77 -9.19 64.52 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.226 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 790' ' ' THR . 5.4 tp10 -78.1 136.24 37.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.872 0.367 . . . . 0.0 111.049 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.34 -24.74 25.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.222 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -70.71 90.33 0.77 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.086 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -25.66 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.441 -175.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 2.7 tp10 -69.52 -49.7 51.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -66.29 -40.37 90.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.045 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.536 ' HB2' ' HB1' ' A' ' 844' ' ' ALA . 70.5 p -62.56 -39.38 93.47 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -46.6 87.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.416 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 12.6 mmtt -58.44 -42.78 88.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.429 0.633 . . . . 0.0 110.165 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.09 -50.1 75.37 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.435 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 841' ' ' LYS . 3.5 mt -75.81 -22.44 56.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.514 -176.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 862' ' ' ILE . 51.9 m -73.0 -44.19 61.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.914 0.387 . . . . 0.0 110.007 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.66 -39.81 95.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.367 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.559 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.77 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.74 176.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -41.55 97.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.445 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 859' ' ' ALA . 6.7 mt -62.33 -42.55 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.497 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -54.75 -54.58 40.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.559 177.545 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -63.34 -48.77 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.39 -36.37 83.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.584 HG23 ' HG ' ' A' ' 829' ' ' LEU . 73.7 m -61.68 -41.03 97.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.846 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -66.85 -35.91 81.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.759 0.314 . . . . 0.0 110.734 177.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -63.98 -41.71 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.539 ' HA ' ' HB1' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -68.24 -50.24 55.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.093 179.464 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.689 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.48 -33.21 64.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.38 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.889 0.376 . . . . 0.0 110.462 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.09 89.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -35.93 82.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.795 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -77.81 0.33 71.98 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.61 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -118.31 7.89 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.443 . . . . 0.0 110.508 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -66.93 -27.94 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -94.44 12.42 27.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.302 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -136.64 87.68 20.48 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.54 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.25 -178.24 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.562 2.174 . . . . 0.0 111.094 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -76.07 66.73 2.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.192 0.52 . . . . 0.0 109.867 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 4.6 m -172.22 -178.04 1.97 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.387 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 61.85 36.52 15.95 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.655 0.597 . . . . 0.0 111.699 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -95.15 148.36 22.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.761 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -136.1 -164.8 1.61 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.742 0.306 . . . . 0.0 110.669 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -91.96 -3.37 55.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.68 41.8 3.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.534 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.263 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -73.36 0.29 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.964 0.412 . . . . 0.0 110.29 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -166.81 -72.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.3 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.35 107.7 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.293 -177.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 755' ' ' GLN . . . . . 0.61 ' HB2' HG23 ' A' ' 758' ' ' THR . 53.2 mt-30 -125.44 178.2 5.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.1 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -76.44 -25.66 54.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.449 . . . . 0.0 110.715 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -130.62 42.86 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.61 HG23 ' HB2' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -75.43 91.22 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.423 177.156 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.84 -6.27 53.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.448 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.13 -21.23 62.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.214 0.531 . . . . 0.0 109.685 174.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -87.75 55.51 4.4 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 762' ' ' GLN . . . . . 0.448 ' HG2' ' HA3' ' A' ' 766' ' ' GLY . 2.3 tt0 -109.64 23.48 14.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.624 0.25 . . . . 0.0 110.958 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.638 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.3 OUTLIER -58.25 -53.62 56.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.814 -178.69 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 1.3 mp -98.09 -35.44 10.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.029 0.442 . . . . 0.0 110.174 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.443 ' HB2' ' HA ' ' A' ' 762' ' ' GLN . 8.4 mmp_? -58.89 -44.83 91.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.774 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 766' ' ' GLY . . . . . 0.448 ' HA3' ' HG2' ' A' ' 762' ' ' GLN . . . -98.15 -59.92 0.93 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.85 -177.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.12 -42.32 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.41 -47.32 88.93 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.458 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.09 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.693 0.282 . . . . 0.0 111.152 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.77 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.488 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 771' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -61.6 -43.48 98.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.159 0.504 . . . . 0.0 110.761 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 20.5 m -65.96 -34.59 78.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.892 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.47 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.851 0.358 . . . . 0.0 110.556 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.89 -44.3 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 14.8 m -58.02 -46.54 85.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.982 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.33 -41.16 81.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.29 90.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 110.761 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 805' ' ' ILE . 1.2 tp -66.09 -42.56 89.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.753 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 779' ' ' ASN . . . . . 0.453 ' O ' ' HG2' ' A' ' 783' ' ' GLN . 1.1 m-20 -58.15 -37.79 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.38 -51.96 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.718 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.477 HD21 HD11 ' A' ' 840' ' ' ILE . 0.5 OUTLIER -68.72 -37.49 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.361 -176.722 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 782' ' ' LEU . 3.5 mt -54.19 -53.5 52.67 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 783' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 779' ' ' ASN . 3.2 mm-40 -69.08 -34.97 75.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.233 0.539 . . . . 0.0 110.129 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.434 ' HD2' HD23 ' A' ' 856' ' ' LEU . 70.4 t60 -64.12 -34.32 77.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.627 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 38.7 t -79.17 -49.71 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.792 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -57.69 -34.52 69.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -174.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -96.24 14.12 25.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 26.2 m-70 -144.92 -77.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.396 -0.19 . . . . 0.0 110.528 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' A' ' 797' ' ' ARG . . . 59.07 -93.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.772 0.67 . . . . 0.0 112.05 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.11 39.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.91 0.386 . . . . 0.0 110.329 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 791' ' ' GLY . . . . . 0.47 ' HA2' ' HB2' ' A' ' 849' ' ' ASP . . . 76.04 -63.63 2.81 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -171.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -113.22 31.23 6.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.137 0.494 . . . . 0.0 110.043 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.41 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -75.94 123.14 6.85 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.848 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.41 ' HD3' ' HA2' ' A' ' 793' ' ' GLY . 32.3 Cg_exo -59.07 -47.99 15.76 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.004 2.47 . . . . 0.0 112.709 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -172.73 -161.03 0.15 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.78 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 76.45 -155.36 45.3 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.632 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.488 ' HD2' ' HB1' ' A' ' 789' ' ' ALA . 0.0 OUTLIER 64.3 101.38 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.826 0.451 . . . . 0.0 111.171 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 52.83 19.94 1.46 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.907 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -74.44 -29.62 61.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 0.0 111.504 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.24 -39.07 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.971 0.415 . . . . 0.0 110.275 176.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.33 86.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.744 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.459 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.7 OUTLIER -62.96 -42.83 99.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.518 179.138 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.88 -39.94 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.735 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 26.9 m -59.43 -49.72 76.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.44 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 829' ' ' LEU . 5.8 mt -59.19 -50.55 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 806' ' ' LEU . 1.0 OUTLIER -52.82 -48.6 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 178.269 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.5 m -60.08 -46.16 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.199 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.525 HG13 ' HB3' ' A' ' 825' ' ' GLN . 25.2 t -64.39 -47.34 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.588 0.232 . . . . 0.0 111.347 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.2 m -63.42 -40.07 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.472 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -37.75 88.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.937 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 35.4 m-20 -61.06 -42.6 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.428 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.4 mt -63.42 -37.77 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.95 -46.71 88.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.132 0.491 . . . . 0.0 110.309 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 1.5 m -67.22 -49.36 64.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.16 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.7 m -88.81 31.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.696 0.284 . . . . 0.0 111.525 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.638 ' HG2' HD12 ' A' ' 763' ' ' LEU . 3.7 ttm -68.07 105.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.93 -22.62 5.4 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 818' ' ' ASP . . . . . 0.513 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 0.4 OUTLIER -84.36 82.89 8.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.762 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -50.34 -58.61 5.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.85 95.06 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.82 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 19.1 tp10 -62.8 -43.15 99.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.819 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.428 ' HG2' HG23 ' A' ' 812' ' ' ILE . 13.6 mtp -59.76 -47.12 86.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 23.9 t -62.76 -41.98 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.093 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.903 ' HA ' ' HD3' ' A' ' 827' ' ' ARG . 2.8 tmm_? -55.37 -51.56 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.527 ' HA ' HD12 ' A' ' 828' ' ' ILE . 44.5 mm-40 -65.53 -35.36 80.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.47 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.27 98.99 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.903 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -69.66 -28.62 66.03 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.379 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 825' ' ' GLN . 40.4 mt -70.06 -42.42 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.647 HD11 HG23 ' A' ' 805' ' ' ILE . 15.5 tp -55.82 -47.42 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.587 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -58.16 -38.36 76.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.977 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.85 -49.22 31.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.232 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.58 95.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.288 -176.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.553 ' HA ' HD11 ' A' ' 805' ' ' ILE . 5.5 m -65.97 -33.96 77.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.993 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -63.45 -39.73 95.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.282 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.92 -41.59 91.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.248 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.3 tp -59.29 -52.0 67.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.893 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.554 HG13 ' HB1' ' A' ' 860' ' ' ALA . 89.6 t -64.99 -41.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -61.56 -45.19 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.52 90.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.477 HD11 HD21 ' A' ' 781' ' ' LEU . 6.5 mt -63.8 -49.35 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.846 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.8 OUTLIER -56.67 -39.0 73.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -177.62 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -75.63 -50.22 16.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.28 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.84 -38.91 92.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.505 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.507 ' HB3' HD21 ' A' ' 857' ' ' LEU . . . -66.55 -22.77 66.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.69 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -75.47 -9.82 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -134.01 37.29 1.99 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.53 170.06 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.076 0.465 . . . . 0.0 111.336 -175.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 5.6 m -103.3 -38.8 7.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.123 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 11.8 t70 -71.76 -42.41 67.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.492 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 849' ' ' ASP . 0.3 OUTLIER 78.52 -53.22 0.48 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.608 0.763 . . . . 0.0 111.198 178.44 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.02 -44.74 88.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.639 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 6.4 t30 -53.86 -45.48 70.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.608 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.926 ' HA ' HD12 ' A' ' 856' ' ' LEU . 0.3 OUTLIER -61.97 -41.91 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.613 -176.616 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 27.6 mtp85 -60.17 -34.12 73.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.087 0.47 . . . . 0.0 110.368 178.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -33.05 56.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.81 177.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.926 HD12 ' HA ' ' A' ' 853' ' ' SER . 89.5 mt -58.24 -47.78 82.45 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.876 -178.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 844' ' ' ALA . 1.2 mt -68.32 -36.55 79.46 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.942 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.7 m -62.21 -47.64 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.227 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.23 93.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.554 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.09 -32.05 73.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -43.75 98.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.25 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.415 HG13 ' H ' ' A' ' 862' ' ' ILE . 1.0 OUTLIER -67.11 -36.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.275 176.852 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -55.0 -56.37 20.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.541 177.532 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -66.34 -36.02 81.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.721 -177.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.46 -42.71 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.551 . . . . 0.0 110.11 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.28 77.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.938 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -62.5 -44.35 96.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.331 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.66 -37.61 88.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.512 178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.53 -43.89 92.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.251 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -66.26 -49.06 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -35.97 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.6 tt0 -67.6 -40.28 84.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.73 -45.25 65.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.963 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.83 96.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -69.03 -27.08 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.438 . . . . 0.0 110.749 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -81.07 -24.14 58.08 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -73.45 -21.98 60.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.988 0.423 . . . . 0.0 110.545 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -75.98 79.72 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.924 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.15 -37.12 69.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -96.05 113.04 61.43 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.99 66.43 2.49 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.772 2.315 . . . . 0.0 112.237 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.75 -2.07 18.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.31 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.87 48.7 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.093 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 152.5 21.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.867 -174.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -19.25 53.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.598 0.713 . . . . 0.0 109.649 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -27.4 67.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.481 174.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -86.99 113.98 23.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -102.41 40.79 1.3 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.185 0.517 . . . . 0.0 110.819 -172.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.893 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.102 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 13.6 m 57.79 37.92 27.2 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 122.837 0.455 . . . . 0.0 112.026 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -153.6 -167.37 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 3.2 ttm -86.75 41.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.169 0.509 . . . . 0.0 110.668 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -74.5 -27.9 60.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.125 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -178.08 93.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.794 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.32 146.45 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.708 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.83 53.67 11.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.487 -177.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 759' ' ' GLU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 881' ' ' PRO . 0.0 OUTLIER -106.15 102.65 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.935 178.476 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 760' ' ' ASP . . . . . 0.9 ' HA ' ' HA ' ' A' ' 883' ' ' SER . 4.9 m-20 -108.86 21.14 17.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.647 -174.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 104.08 37.71 2.85 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.243 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -89.32 61.98 5.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.192 0.52 . . . . 0.0 109.935 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.465 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.4 OUTLIER -62.07 -65.04 0.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.148 -176.353 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -21.2 44.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.936 0.398 . . . . 0.0 110.774 -176.473 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 765' ' ' ARG . 0.0 OUTLIER -72.31 -47.57 48.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.5 177.421 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -87.61 -60.57 1.61 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.475 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.16 -45.26 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.449 0.166 . . . . 0.0 110.809 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -54.04 -52.11 45.53 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.634 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.14 97.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.21 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.137 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.04 98.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.4 m -62.8 -43.95 97.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.366 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.88 79.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.36 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.7 -50.3 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.878 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.6 m -59.16 -40.38 85.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.74 -39.37 70.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.43 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 110.263 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.8 HD11 ' HA ' ' A' ' 802' ' ' THR . 2.4 tp -61.56 -45.01 95.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.293 176.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 779' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 783' ' ' GLN . 2.7 m-20 -57.44 -43.84 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.86 -54.22 49.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.621 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.558 HD11 HD13 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -60.76 -43.6 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.126 -178.518 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.2 mt -58.03 -46.77 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.138 -178.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 783' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 779' ' ' ASN . 70.1 mt-30 -65.5 -32.28 73.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.266 0.555 . . . . 0.0 110.586 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -75.5 -46.65 31.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.191 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 788' ' ' HIS . 88.3 t -70.65 -31.33 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.915 0.388 . . . . 0.0 111.165 -176.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -63.84 -30.8 71.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.794 0.33 . . . . 0.0 110.652 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -95.37 -24.99 16.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.518 ' O ' ' HA ' ' A' ' 785' ' ' VAL . 91.8 m-70 -139.56 112.7 8.16 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.745 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.559 ' HB3' ' HD2' ' A' ' 794' ' ' PRO . . . -138.22 -178.13 5.14 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.083 176.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.16 114.58 13.83 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 177.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 97.9 51.25 1.53 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -175.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 74.42 -68.81 0.2 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.601 0.761 . . . . 0.0 110.843 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 171.62 68.13 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.569 -0.825 . . . . 0.0 112.653 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 789' ' ' ALA . 11.4 Cg_exo -71.95 -6.34 18.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.602 2.201 . . . . 0.0 112.111 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 71.02 -61.36 0.48 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.858 0.863 . . . . 0.0 111.724 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -72.07 118.02 6.68 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' A' ' 798' ' ' TYR . 0.0 OUTLIER -158.63 -48.02 0.06 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.567 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -131.98 34.65 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.519 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -74.2 -21.74 59.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.103 -171.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -76.91 -41.87 41.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.014 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.64 83.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.118 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.8 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.9 p -59.09 -46.38 88.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -178.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.51 -44.61 93.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.65 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.6 m -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.61 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 829' ' ' LEU . 4.0 mt -57.25 -53.98 36.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.693 0.282 . . . . 0.0 110.787 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.421 ' HB2' ' CD2' ' A' ' 778' ' ' LEU . 1.5 tt -55.24 -47.72 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.9 m -58.08 -44.61 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.625 HG13 ' HB3' ' A' ' 825' ' ' GLN . 5.2 t -65.15 -48.59 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.0 OUTLIER -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.704 0.287 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.44 -33.83 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.325 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.6 m-20 -61.58 -39.93 92.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.489 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.608 HG23 ' HG2' ' A' ' 822' ' ' MET . 4.4 mt -65.51 -33.78 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -64.82 -47.35 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 176.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.427 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 49.5 m -109.52 34.73 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.778 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.489 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.9 ttm -68.0 97.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.34 0.591 . . . . 0.0 109.7 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.64 -22.87 3.46 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -173.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -88.97 83.62 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.706 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -45.28 -57.85 3.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.946 -1.025 . . . . 0.0 113.278 -173.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 820' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 824' ' ' ARG . . . -55.82 -48.27 73.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.754 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 6.1 tp10 -68.38 -40.58 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.538 0.209 . . . . 0.0 110.472 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.608 ' HG2' HG23 ' A' ' 812' ' ' ILE . 7.9 mtp -57.94 -50.32 73.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 875' ' ' LYS . 38.2 t -67.35 -39.48 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.174 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 820' ' ' GLY . 0.4 OUTLIER -55.79 -55.03 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.779 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 828' ' ' ILE . 78.4 mm-40 -61.62 -39.08 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.465 0.478 . . . . 0.0 110.621 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -55.17 -43.04 73.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.176 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 1.7 mtp-105 -62.39 -42.21 99.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.919 0.39 . . . . 0.0 110.581 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 825' ' ' GLN . 9.0 mt -66.76 -40.29 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.448 ' CD1' HG23 ' A' ' 805' ' ' ILE . 13.9 tp -57.54 -48.69 78.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.273 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.504 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.27 -46.71 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -66.7 -40.16 88.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.088 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.94 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.183 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.9 m -64.15 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.144 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.5 m -58.94 -44.36 91.39 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.93 -40.23 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.46 -51.77 67.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.54 HG13 ' HB1' ' A' ' 860' ' ' ALA . 90.3 t -66.79 -41.9 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 -178.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.84 -43.44 94.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.558 HD13 HD11 ' A' ' 781' ' ' LEU . 8.1 mt -62.56 -48.28 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER -59.19 -37.03 76.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.305 -177.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.32 -39.14 54.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.175 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.2 -46.39 42.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.581 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.31 -21.09 66.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.97 -22.6 66.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.639 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -113.13 29.0 8.3 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.221 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.25 149.2 26.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.833 0.349 . . . . 0.0 110.48 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -29.14 58.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.792 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.66 125.21 51.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.57 -29.31 46.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.5 OUTLIER -69.66 -48.01 61.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.465 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -60.15 -39.4 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.948 175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 3.4 t -57.88 -47.11 83.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.141 175.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -56.84 -43.13 80.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.98 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 9.5 mmtt -60.19 -45.31 93.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.435 0.636 . . . . 0.0 109.92 176.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 7.2 mt -59.94 -49.77 76.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.698 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 3.1 mt -75.88 -29.22 58.42 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.212 -0.903 . . . . 0.0 111.621 -175.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 62.9 m -68.16 -39.52 82.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -65.58 -39.74 91.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.414 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.54 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -65.77 -28.93 69.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.938 177.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.45 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.146 176.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 859' ' ' ALA . 8.2 mt -61.32 -44.21 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.045 176.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.494 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -52.07 -51.99 54.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.878 178.279 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.8 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.06 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.51 -38.38 77.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.698 0.285 . . . . 0.0 111.523 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.92 -35.68 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.961 0.41 . . . . 0.0 110.519 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.504 HG21 ' HA ' ' A' ' 830' ' ' ALA . 96.9 m -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.27 93.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.838 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -40.64 68.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.071 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.575 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -69.3 -52.23 29.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.444 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.586 ' O ' ' HB3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -62.95 -34.44 66.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.422 . . . . 0.0 111.021 -178.439 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.512 ' HA ' ' HE2' ' A' ' 875' ' ' LYS . 46.5 mm-40 -75.93 -33.66 59.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.458 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -78.11 -51.13 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 874' ' ' ALA . . . . . 0.546 ' HB2' ' HE1' ' A' ' 870' ' ' MET . . . -63.7 -36.31 83.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.621 -175.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.764 ' HA ' HG22 ' A' ' 823' ' ' VAL . 0.3 OUTLIER -79.28 -24.96 42.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.095 0.474 . . . . 0.0 110.358 -177.666 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -83.47 -49.48 4.89 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.008 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.654 ' HA ' ' HG3' ' A' ' 881' ' ' PRO . . . -85.95 40.29 0.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 0.0 111.046 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.706 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -81.21 102.11 10.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.818 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 879' ' ' ALA . . . . . 0.487 ' HB2' ' HB2' ' A' ' 819' ' ' ALA . . . 65.78 -76.85 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.977 0.798 . . . . 0.0 111.479 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -141.06 110.68 6.54 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.654 ' HG3' ' HA ' ' A' ' 877' ' ' ALA . 6.2 Cg_exo -73.41 -104.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.575 2.183 . . . . 0.0 110.138 173.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 882' ' ' ASP . . . . . 0.537 ' H ' ' HB2' ' A' ' 881' ' ' PRO . 0.5 OUTLIER -104.83 -45.93 4.44 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 167.292 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 883' ' ' SER . . . . . 0.9 ' HA ' ' HA ' ' A' ' 760' ' ' ASP . 87.6 p 42.59 69.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.091 -1.413 . . . . 0.0 112.754 169.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -67.66 121.54 16.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.34 116.79 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.312 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.48 -40.49 73.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.007 -175.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -74.72 -24.22 58.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.268 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 55.5 40.85 31.26 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.927 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.82 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.051 -0.419 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.68 -42.78 27.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.083 0.468 . . . . 0.0 111.129 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -116.83 -36.07 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.861 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 1.2 tpt -136.02 132.42 36.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.48 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -80.99 117.65 21.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -104.97 89.74 3.24 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.98 114.67 16.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.808 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.57 81.58 1.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.163 0.506 . . . . 0.0 111.648 -176.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -149.06 163.36 37.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.46 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 760' ' ' ASP . . . . . 0.498 ' OD1' ' HD3' ' A' ' 765' ' ' ARG . 9.0 t70 -160.9 -75.69 0.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 119.231 -0.414 . . . . 0.0 109.904 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 16.66 -99.01 0.01 OUTLIER Glycine 0 C--N 1.349 1.254 0 O-C-N 124.805 1.315 . . . . 0.0 114.865 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -123.36 -18.75 6.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.919 0.39 . . . . 0.0 110.15 175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 763' ' ' LEU . 1.2 mm? -66.7 -64.88 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.583 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.62 -21.51 52.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.049 0.452 . . . . 0.0 110.493 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.533 ' HD2' ' HA ' ' A' ' 765' ' ' ARG . 0.0 OUTLIER -67.56 -58.6 4.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.938 178.485 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -89.58 -61.44 1.37 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.349 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 767' ' ' VAL . . . . . 0.418 HG23 ' H ' ' A' ' 767' ' ' VAL . 1.6 t -60.96 -42.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.531 0.205 . . . . 0.0 111.03 -176.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.17 -51.13 59.34 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.677 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.81 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.53 94.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.432 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 21.3 m -62.74 -36.01 81.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.619 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.42 94.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 774' ' ' VAL . . . . . 0.418 ' CG2' ' HG3' ' A' ' 870' ' ' MET . 62.8 t -63.47 -44.43 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.489 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 775' ' ' THR . . . . . 0.534 HG23 HD21 ' A' ' 806' ' ' LEU . 20.6 m -57.74 -44.34 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.226 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.8 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 110.267 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.44 HD22 ' HG ' ' A' ' 806' ' ' LEU . 0.3 OUTLIER -61.56 -45.66 93.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.124 175.621 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 779' ' ' ASN . . . . . 0.559 ' O ' ' HG3' ' A' ' 783' ' ' GLN . 7.4 m-20 -56.77 -47.73 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.146 176.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.99 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.162 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -61.74 -44.21 97.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.837 -174.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 782' ' ' LEU . 11.9 mt -60.37 -43.74 96.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.465 0.174 . . . . 0.0 111.15 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 783' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' A' ' 779' ' ' ASN . 30.1 mt-30 -69.56 -43.81 72.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.121 0.486 . . . . 0.0 110.019 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 74.6 t60 -60.46 -43.22 97.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.732 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 74.3 t -72.24 -53.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.594 0.235 . . . . 0.0 110.922 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -63.93 -22.77 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.924 -174.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -109.86 23.06 14.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 12.0 m-70 -145.38 -48.73 0.23 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.657 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.51 81.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 110.413 -178.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 124.2 20.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.7 177.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 107.55 -34.4 5.69 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.627 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -85.34 -53.67 5.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 0.0 110.262 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -137.29 -155.65 7.02 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.869 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.16 -18.24 50.88 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.977 2.451 . . . . 0.0 112.253 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 64.46 91.6 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.45 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -58.22 119.37 16.8 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -101.73 120.81 40.95 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.157 0.503 . . . . 0.0 111.235 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.23 29.18 7.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.107 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.32 -42.37 81.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.296 -174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -64.15 -45.23 89.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.555 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.31 90.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.017 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -37.22 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.949 0.404 . . . . 0.0 110.581 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.02 -45.06 94.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 5.1 m -60.11 -43.03 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.495 HG23 ' CD1' ' A' ' 829' ' ' LEU . 50.4 mt -61.29 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.534 HD21 HG23 ' A' ' 775' ' ' THR . 0.4 OUTLIER -55.17 -40.54 70.78 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.36 0.412 . . . . 0.0 110.987 -179.471 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 87.8 m -59.17 -41.45 88.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.483 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.6 t -62.94 -46.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -42.97 99.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.126 0.489 . . . . 0.0 110.571 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -37.51 87.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.343 176.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -61.48 -47.44 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.395 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.572 HG23 ' HG2' ' A' ' 822' ' ' MET . 5.1 mt -58.98 -42.87 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.446 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.87 -39.05 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 70.4 m -85.62 1.0 51.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.647 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.3 m -129.03 24.5 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.741 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 mmt -62.34 105.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.477 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.18 -36.2 2.37 Favored Glycine 0 N--CA 1.445 -0.767 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -84.01 85.25 7.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 878' ' ' ALA . . . -52.17 -42.18 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.91 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.2 -45.91 93.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.644 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.75 -41.69 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.813 0.34 . . . . 0.0 110.247 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.572 ' HG2' HG23 ' A' ' 812' ' ' ILE . 37.0 mtp -58.67 -51.55 69.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.966 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.36 -36.36 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -53.33 58.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.059 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.635 ' HA ' HD12 ' A' ' 828' ' ' ILE . 48.8 mm-40 -66.61 -41.55 88.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.731 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.16 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.436 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -66.89 -39.52 87.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 110.493 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.5 mt -65.14 -41.23 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' ' 867' ' ' THR . 16.7 tp -57.41 -48.61 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.971 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.402 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -58.55 -40.4 82.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 111.036 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -46.08 62.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.89 -47.0 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.692 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.7 m -66.28 -31.35 72.11 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.466 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.4 m -59.69 -44.6 93.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.98 0.419 . . . . 0.0 110.038 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -65.24 -46.41 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.288 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 28.6 tp -56.66 -52.1 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.334 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.66 HG13 ' HB1' ' A' ' 860' ' ' ALA . 78.8 t -67.55 -40.51 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.162 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -63.38 -38.69 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 110.741 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.21 80.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.766 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.665 HD13 HD11 ' A' ' 781' ' ' LEU . 11.6 mt -62.77 -44.54 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.795 ' HE2' HD22 ' A' ' 857' ' ' LEU . 0.0 OUTLIER -54.39 -47.02 73.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.53 73.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.585 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -38.51 62.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.385 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.446 ' HB3' HD21 ' A' ' 857' ' ' LEU . . . -72.05 -29.22 63.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.909 0.385 . . . . 0.0 110.95 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 89.64 1.04 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 120.06 21.09 3.55 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.942 -175.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 164.54 23.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.942 0.401 . . . . 0.0 110.702 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.4 m -82.47 -34.07 28.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.993 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -108.3 115.03 29.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.894 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 35.4 mt -67.99 -35.41 78.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.147 -175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 6.1 tp10 -62.7 -49.5 74.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.231 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -62.15 -42.02 98.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.973 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.507 ' HA ' HD12 ' A' ' 856' ' ' LEU . 56.2 p -59.68 -37.86 79.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.737 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -46.55 79.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.315 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 12.4 mmtt -57.41 -38.8 74.9 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.665 0.745 . . . . 0.0 110.55 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 853' ' ' SER . 5.5 mt -55.94 -49.68 72.82 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.551 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.795 HD22 ' HE2' ' A' ' 841' ' ' LYS . 2.3 mt -75.82 -23.71 55.8 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.823 -174.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.497 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.1 OUTLIER -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -62.58 -42.12 99.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.176 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.66 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.11 -34.41 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.636 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -43.42 94.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.329 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 859' ' ' ALA . 16.1 mt -59.24 -45.43 93.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.124 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.059 175.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.6 OUTLIER -53.25 -53.2 54.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.657 177.789 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -67.52 -41.62 84.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -176.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.24 -47.58 73.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.802 HG23 ' HG ' ' A' ' 829' ' ' LEU . 53.8 m -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.84 177.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.37 -42.69 96.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.048 176.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -41.18 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.421 ' HE1' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -61.28 -50.75 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.693 178.33 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -38.55 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.695 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.5 OUTLIER -65.16 -46.65 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 0.0 110.701 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.11 81.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -68.0 -43.09 79.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -35.8 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.639 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -72.91 -16.83 78.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.156 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -96.75 16.55 18.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.0 110.337 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 819' ' ' ALA . . . -107.79 -172.52 2.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.476 178.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -87.42 51.27 2.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.951 0.405 . . . . 0.0 111.063 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 880' ' ' HIS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 881' ' ' PRO . 11.6 p80 -169.87 145.17 2.42 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.529 ' HG2' ' HB3' ' A' ' 886' ' ' GLN . 3.0 Cg_exo -75.78 0.87 8.73 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 123.118 2.546 . . . . 0.0 111.368 176.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 75.57 -44.84 0.53 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.629 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 10.9 m -72.33 126.75 30.61 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.58 171.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -83.26 55.86 3.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.19 0.519 . . . . 0.0 110.611 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 885' ' ' GLU . . . . . 0.555 ' HA ' ' OE1' ' A' ' 888' ' ' GLN . 1.2 mt-10 -143.56 43.55 1.5 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.494 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 886' ' ' GLN . . . . . 0.529 ' HB3' ' HG2' ' A' ' 881' ' ' PRO . 2.9 pt20 -80.27 -35.53 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.948 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -156.82 109.64 2.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.05 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.555 ' OE1' ' HA ' ' A' ' 885' ' ' GLU . 10.6 mm100 -85.53 149.27 25.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.032 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.239 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.65 105.46 10.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.075 0.464 . . . . 0.0 110.961 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -95.31 146.0 24.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.585 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.11 100.52 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.914 0.759 . . . . 0.0 110.816 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 755' ' ' GLN . . . . . 0.503 ' HG3' ' H ' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -62.52 123.0 17.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.943 -178.379 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -82.38 53.33 2.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.168 0.509 . . . . 0.0 110.676 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -134.22 99.7 4.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.569 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -34.19 75.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -1.46 44.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.052 -173.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -75.48 -72.6 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.521 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 66.63 -118.11 10.29 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.158 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 73.77 -49.07 0.68 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.647 0.779 . . . . 0.0 112.133 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.55 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.9 OUTLIER -57.32 -57.69 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.296 . . . . 0.0 111.657 -175.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -35.95 53.01 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.046 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 765' ' ' ARG . 7.9 mtm180 -59.12 -45.69 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.053 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -89.83 -66.95 1.22 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.588 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.76 -44.88 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.402 0.144 . . . . 0.0 111.367 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.13 -53.39 42.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.467 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.19 98.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.696 0.284 . . . . 0.0 111.282 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 770' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.69 -40.42 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.19 -178.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 771' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -65.66 -44.63 85.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 8.6 m -60.99 -35.16 76.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.38 90.39 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.677 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.59 -44.63 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.376 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 775' ' ' THR . . . . . 0.622 HG23 HD21 ' A' ' 806' ' ' LEU . 2.7 m -57.68 -47.09 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.938 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.05 -41.39 82.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 802' ' ' THR . 6.8 tp -60.25 -45.09 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.432 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 779' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 775' ' ' THR . 1.6 t-20 -57.87 -45.96 85.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.407 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -50.33 74.12 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.963 -178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.573 HD11 HD13 ' A' ' 840' ' ' ILE . 1.1 tp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.252 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.3 mt -57.55 -45.82 84.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.726 -177.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 783' ' ' GLN . . . . . 0.515 ' H ' ' HG2' ' A' ' 783' ' ' GLN . 0.0 OUTLIER -76.3 -33.3 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.021 177.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 855' ' ' LYS . 69.8 t60 -61.68 -42.52 99.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.241 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.408 ' CG1' ' HA3' ' A' ' 796' ' ' GLY . 72.4 t -68.5 -54.12 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.702 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -67.56 -12.75 61.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.241 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -105.71 5.87 31.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -138.13 -49.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.603 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -85.94 7.88 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 0.0 111.252 -176.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.56 166.39 12.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.796 -176.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 115.65 -147.94 18.91 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -104.88 130.92 52.93 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 116.42 -96.75 0.73 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.109 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.55 -78.99 0.02 OUTLIER 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.24 2.627 . . . . 0.0 112.775 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 72.09 -46.62 0.65 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.16 0.984 . . . . 0.0 111.376 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 796' ' ' GLY . . . . . 0.408 ' HA3' ' CG1' ' A' ' 785' ' ' VAL . . . 72.17 75.19 0.7 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 121.241 -0.504 . . . . 0.0 112.071 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 797' ' ' ARG . 0.0 OUTLIER -115.3 110.2 19.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.218 0.532 . . . . 0.0 110.82 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.33 47.95 2.42 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -41.88 84.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.63 -171.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -66.9 -47.82 70.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.232 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.93 74.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.402 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.518 HG22 HD11 ' A' ' 778' ' ' LEU . 7.7 p -64.35 -39.48 93.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.101 0.476 . . . . 0.0 110.64 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.2 -46.34 84.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.708 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 22.8 m -59.02 -46.51 88.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.669 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 829' ' ' LEU . 9.6 mt -57.56 -59.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.666 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 775' ' ' THR . 1.5 mt -54.75 -48.44 72.61 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.634 0.584 . . . . 0.0 111.953 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 m -61.05 -39.46 89.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.682 0.277 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.98 -47.22 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.649 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.413 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -62.96 -41.11 99.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.172 0.51 . . . . 0.0 110.374 178.231 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.5 -39.24 83.17 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.468 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -69.86 -37.29 76.05 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.223 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 4.9 mt -60.66 -33.69 55.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.503 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.74 -41.2 96.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.72 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -37.72 64.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.822 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.4 m -93.16 19.57 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.359 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.55 ' HG2' HD12 ' A' ' 763' ' ' LEU . 1.9 ttm -67.08 117.68 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 110.722 -179.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 110.88 -15.55 28.64 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.869 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.7 -22.06 51.02 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.132 0.492 . . . . 0.0 110.693 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . 69.11 -60.72 0.45 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.046 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.22 -54.41 38.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.539 -0.363 . . . . 0.0 112.927 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.441 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 1.5 tp10 -62.98 -31.71 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 0.0 110.738 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 44.7 mtp -66.09 -46.73 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.4 -43.35 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.369 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -52.46 65.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.702 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.4 OUTLIER -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.768 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 826' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 871' ' ' VAL . . . -59.66 -36.28 76.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.812 0.339 . . . . 0.0 111.301 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -63.06 -38.72 92.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.274 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.4 mt -70.97 -37.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 805' ' ' ILE . 2.1 tp -55.97 -48.94 74.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.229 176.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.44 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.894 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -63.03 -48.1 80.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.276 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.09 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.429 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.3 m -67.13 -32.47 73.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.815 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.2 m -58.12 -41.76 84.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.03 -42.68 69.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.08 -51.95 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.658 HG13 ' HB1' ' A' ' 860' ' ' ALA . 75.5 t -62.34 -41.4 91.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.018 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.02 -43.97 97.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.33 98.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.573 HD13 HD11 ' A' ' 781' ' ' LEU . 8.5 mt -66.81 -45.95 86.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -45.82 88.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.409 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.96 89.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.45 -37.73 31.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.85 -18.42 65.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.021 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.46 57.25 0.53 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.312 0.577 . . . . 0.0 110.049 173.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 160.05 -85.15 0.12 Allowed Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 848' ' ' SER . 1.7 tm-20 66.24 -179.39 0.2 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 112.236 173.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 848' ' ' SER . . . . . 0.52 ' H ' ' CD ' ' A' ' 847' ' ' GLU . 0.0 OUTLIER -90.92 -39.76 12.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.074 -0.967 . . . . 0.0 109.25 176.063 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -128.47 141.95 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.135 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.538 ' HA ' ' OG ' ' A' ' 853' ' ' SER . 0.4 OUTLIER -73.7 -20.48 60.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.855 0.359 . . . . 0.0 110.695 -178.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.69 -37.95 89.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.337 0.589 . . . . 0.0 109.513 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -72.58 -50.88 22.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.171 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.538 ' OG ' ' HA ' ' A' ' 850' ' ' LEU . 14.7 p -56.98 -51.99 67.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.707 -172.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 857' ' ' LEU . 31.4 mtt180 -59.11 -46.57 87.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.938 -177.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.476 ' HB3' ' CE1' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -65.08 -35.03 79.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.115 0.483 . . . . 0.0 111.624 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.2 -36.64 84.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.857 -178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 854' ' ' ARG . 2.4 mt -68.76 -40.39 79.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.505 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.6 OUTLIER -64.06 -43.4 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.555 177.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.23 91.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 178.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.658 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -67.9 -27.35 66.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.827 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.31 83.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 858' ' ' SER . 3.0 mt -66.52 -38.03 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.6 OUTLIER -57.43 -52.91 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 178.3 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.55 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -51.35 36.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.38 93.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.31 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 829' ' ' LEU . 8.1 m -64.39 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.461 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -68.51 -42.51 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -60.2 -39.64 87.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.707 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.637 ' SD ' HD23 ' A' ' 829' ' ' LEU . 0.0 OUTLIER -65.26 -52.25 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.864 179.014 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.5 HG23 ' HB1' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -63.1 -37.25 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.739 -178.556 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.1 tm-20 -69.59 -37.42 76.93 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -71.23 -44.33 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.73 98.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -37.91 65.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.75 86.29 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.871 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -84.97 2.94 40.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.476 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -78.39 115.42 18.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.209 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.87 71.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.38 83.31 32.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.462 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.26 108.02 1.51 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.015 2.477 . . . . 0.0 111.667 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -78.25 62.07 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.504 0.668 . . . . 0.0 110.515 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 2.4 m -132.09 22.99 4.51 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.806 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 884' ' ' GLU . . . . . 0.453 ' H ' ' HG3' ' A' ' 884' ' ' GLU . 0.0 OUTLIER -84.95 175.99 8.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.467 -178.353 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -114.3 42.71 2.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 -175.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.38 75.36 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.577 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 55.61 44.26 26.89 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.645 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.54 46.69 1.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.199 0.523 . . . . 0.0 110.746 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.379 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.281 -0.328 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.38 141.18 38.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -99.55 26.21 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.456 0.646 . . . . 0.0 110.06 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.89 87.25 0.12 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.904 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -121.12 16.54 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.589 174.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -85.21 47.76 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.12 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -117.32 30.39 7.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.484 0.659 . . . . 0.0 109.353 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.486 ' HB ' ' HG3' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -109.7 55.09 0.65 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.714 -175.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -71.71 -27.27 62.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.471 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.84 -40.65 56.46 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.71 176.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 761' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 765' ' ' ARG . . . 163.18 88.55 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 762' ' ' GLN . . . . . 0.486 ' HG3' ' HB ' ' A' ' 758' ' ' THR . 0.4 OUTLIER -57.49 -31.95 66.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.809 -178.083 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.408 HD22 ' HB1' ' A' ' 877' ' ' ALA . 1.9 mm? -64.73 -63.69 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 177.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -31.2 70.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 761' ' ' GLY . 0.0 OUTLIER -73.59 -53.78 9.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.639 0.257 . . . . 0.0 110.661 179.18 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -75.2 -62.89 2.64 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.452 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.08 -44.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.271 . . . . 0.0 110.598 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.18 -50.84 59.61 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.652 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.37 86.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.664 0.232 . . . . 0.0 110.816 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.26 92.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 22.8 m -64.18 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.69 92.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.11 -48.51 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.434 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.8 m -58.64 -41.6 86.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.198 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -68.76 -42.11 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.786 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.62 98.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 0.0 110.296 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 802' ' ' THR . 7.2 tp -65.51 -45.86 81.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.545 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.29 -38.69 80.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -58.68 -52.01 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.707 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.548 HD21 HD11 ' A' ' 840' ' ' ILE . 1.1 tp -72.37 -41.16 66.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.578 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.76 -53.13 56.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.765 0.317 . . . . 0.0 111.529 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.72 -30.46 69.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.735 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.547 ' NE2' ' HB3' ' A' ' 855' ' ' LYS . 36.4 t60 -69.7 -40.05 76.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.559 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 98.7 t -72.28 -43.74 64.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.412 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -63.78 -35.18 79.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.285 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -90.21 9.48 28.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.713 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 5.7 m-70 -136.38 -125.11 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.83 -177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.505 ' H ' ' HB3' ' A' ' 788' ' ' HIS . . . 58.39 82.05 0.14 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -170.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 -74.38 0.57 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -165.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -78.02 -95.87 0.24 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.506 -171.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -77.42 75.22 3.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.244 0.545 . . . . 0.0 111.219 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 134.78 101.42 0.69 Allowed Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.73 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.65 -10.63 20.23 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 123.125 2.55 . . . . 0.0 112.793 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -163.68 64.9 0.17 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.105 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -75.78 64.11 2.67 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -92.44 124.71 36.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.301 0.572 . . . . 0.0 111.327 -174.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -94.29 48.58 1.24 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.926 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -43.69 79.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.39 -170.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -34.17 77.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.852 0.358 . . . . 0.0 111.026 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -73.88 -48.18 32.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.691 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.541 HG22 HD11 ' A' ' 778' ' ' LEU . 1.0 OUTLIER -63.21 -41.55 99.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -178.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.87 -46.15 88.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.514 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 86.1 m -59.8 -47.05 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.501 HG23 HD11 ' A' ' 829' ' ' LEU . 5.5 mt -57.59 -50.44 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.544 178.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.427 ' HG ' HD23 ' A' ' 778' ' ' LEU . 2.9 mt -56.04 -49.3 74.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 57.5 m -58.09 -47.04 84.43 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.111 0.257 . . . . 0.0 110.751 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.755 HG13 ' HB3' ' A' ' 825' ' ' GLN . 12.3 t -62.23 -51.93 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.9 m -63.53 -42.47 98.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.049 0.452 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.91 -28.09 67.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.281 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.9 m-20 -64.42 -44.35 91.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 173.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.63 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.5 mt -64.28 -36.09 76.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.519 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.41 -30.06 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.259 0.552 . . . . 0.0 110.092 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 4.2 m -97.76 5.64 48.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.313 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.1 p -135.26 12.7 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.015 -178.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.587 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 0.4 OUTLIER -64.67 102.16 0.54 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.463 0.649 . . . . 0.0 110.812 -174.647 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.3 -40.17 1.31 Allowed Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -83.24 108.52 16.52 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -61.96 -41.35 97.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.646 -175.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.22 -54.03 37.75 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.352 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.61 -37.41 79.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.939 0.37 . . . . 0.0 110.581 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.616 ' HG2' HG23 ' A' ' 812' ' ' ILE . 10.1 mtp -61.17 -48.45 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.789 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.91 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.079 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.606 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 15.2 ttp180 -55.01 -57.4 11.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.66 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.796 ' HA ' HD12 ' A' ' 828' ' ' ILE . 72.0 mm-40 -61.8 -37.68 85.29 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.813 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.85 -33.62 68.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 111.368 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.606 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 4.4 mtt180 -65.84 -46.84 77.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.045 0.45 . . . . 0.0 110.014 177.058 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 825' ' ' GLN . 4.3 mt -66.44 -37.32 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.731 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.755 ' HG ' HG23 ' A' ' 867' ' ' THR . 7.2 tp -56.98 -49.04 76.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -61.8 -40.81 96.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.793 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -45.84 84.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.021 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.47 -49.4 69.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.424 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -65.74 -34.47 78.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.43 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.8 m -57.81 -42.37 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.96 0.41 . . . . 0.0 110.364 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.82 -38.11 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 29.5 tp -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.569 HG21 ' HB2' ' A' ' 864' ' ' ALA . 77.4 t -64.68 -40.82 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.558 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.15 -40.73 96.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.42 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 839' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 843' ' ' ASP . . . -61.93 -44.32 97.02 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.333 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.548 HD11 HD21 ' A' ' 781' ' ' LEU . 4.7 mt -63.07 -44.95 99.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.48 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -38.55 76.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.12 -46.75 27.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.957 0.408 . . . . 0.0 111.482 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 839' ' ' ALA . 0.2 OUTLIER -70.54 -44.7 66.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.675 -173.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -65.5 -27.07 68.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.321 -177.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -75.68 -17.14 60.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.843 0.354 . . . . 0.0 110.61 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -89.84 -28.64 17.93 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 174.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.54 142.53 44.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.938 0.399 . . . . 0.0 110.436 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.56 -32.99 20.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.421 -175.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.27 105.42 13.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.981 0.42 . . . . 0.0 110.517 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.422 ' HA ' ' OG ' ' A' ' 853' ' ' SER . 0.8 OUTLIER -68.33 -28.06 66.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.938 -175.752 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.447 ' O ' ' HD3' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -62.77 -44.9 94.98 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.436 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 16.0 t30 -65.51 -48.22 73.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.529 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.986 ' HA ' HD12 ' A' ' 856' ' ' LEU . 97.8 p -64.1 -45.03 90.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 -175.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 857' ' ' LEU . 0.0 OUTLIER -55.25 -46.63 76.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.312 0.577 . . . . 0.0 110.1 177.732 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.547 ' HB3' ' NE2' ' A' ' 784' ' ' HIS . 6.0 mptt -58.9 -41.34 86.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.094 177.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.986 HD12 ' HA ' ' A' ' 853' ' ' SER . 46.9 mt -59.07 -49.89 76.14 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.942 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 853' ' ' SER . 0.7 OUTLIER -69.26 -33.11 72.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.872 -177.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 15.3 m -67.35 -39.65 85.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.714 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.564 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -70.19 -40.63 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.256 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.04 -33.49 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.06 177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -60.87 -43.18 98.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.407 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.1 mt -64.17 -42.68 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.853 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -51.95 -54.85 24.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.954 178.343 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.02 -47.94 82.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.745 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.93 -45.98 79.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.14 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.39 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.755 HG23 ' HG ' ' A' ' 829' ' ' LEU . 88.4 m -65.21 -36.36 83.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.024 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.422 ' HA ' ' HB ' ' A' ' 871' ' ' VAL . . . -71.64 -32.31 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -63.02 -42.81 99.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.47 75.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 871' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 830' ' ' ALA . 2.2 t -54.71 -48.26 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.56 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -40.62 90.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.848 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.17 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.408 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.4 88.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -42.22 83.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.617 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.25 -47.42 64.14 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.406 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 877' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 763' ' ' LEU . . . -77.48 -1.55 30.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.708 0.289 . . . . 0.0 111.535 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -72.54 -36.75 68.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 109.911 174.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -79.54 89.02 5.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.162 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -170.09 161.9 6.6 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.51 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.13 107.23 0.91 Allowed 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.417 2.078 . . . . 0.0 111.465 173.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -22.01 60.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.08 124.06 31.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.835 173.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.05 58.28 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.375 0.607 . . . . 0.0 110.325 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.44 65.51 0.88 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.106 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.33 -42.95 2.74 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -90.39 179.43 5.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.689 170.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -138.96 116.58 11.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.067 0.46 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.378 -178.781 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.3 31.58 18.83 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.934 0.494 . . . . 0.0 111.444 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -121.44 -5.86 9.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.58 144.28 51.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.147 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 755' ' ' GLN . . . . . 0.428 ' H ' ' HG3' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -82.63 -17.67 43.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.309 178.354 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 53.92 54.05 10.34 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.564 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . 61.39 -102.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.176 -174.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.35 28.58 7.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.057 0.456 . . . . 0.0 110.751 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 759' ' ' GLU . . . . . 0.447 ' CD ' ' HE ' ' A' ' 765' ' ' ARG . 4.0 mm-40 -83.29 -27.33 29.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.699 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.94 -163.52 0.26 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.652 0.595 . . . . 0.0 111.164 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -78.19 -82.65 0.61 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 762' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 763' ' ' LEU . 0.3 OUTLIER -167.48 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.927 0.394 . . . . 0.0 110.118 177.752 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.715 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.4 OUTLIER -62.16 -53.75 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.849 -178.844 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 764' ' ' LEU . . . . . 0.401 ' HG ' ' SD ' ' A' ' 816' ' ' MET . 0.1 OUTLIER -75.3 -18.84 59.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.984 0.421 . . . . 0.0 110.935 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.447 ' HE ' ' CD ' ' A' ' 759' ' ' GLU . 24.2 ttt-85 -71.01 -51.58 24.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.582 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -86.28 -59.58 1.83 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.612 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.9 -39.41 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.472 0.177 . . . . 0.0 111.248 -175.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.497 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.83 84.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.54 99.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.416 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.15 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 27.9 m -59.68 -34.7 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.59 81.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 110.708 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.79 -45.58 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.322 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -41.89 81.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 0.0 110.834 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.82 -46.63 71.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.83 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 806' ' ' LEU . 6.4 tp -66.81 -44.1 82.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -59.88 -40.86 90.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 109.842 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.73 -55.92 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.654 176.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 840' ' ' ILE . 1.3 tp -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.587 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 786' ' ' LYS . 3.9 mt -57.88 -52.87 63.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.192 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -66.75 -29.01 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.937 0.399 . . . . 0.0 110.49 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -69.19 -51.5 37.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.531 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.763 ' HA ' ' CE1' ' A' ' 788' ' ' HIS . 58.0 t -70.09 -24.58 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.821 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 786' ' ' LYS . . . . . 0.485 ' HE2' HD22 ' A' ' 782' ' ' LEU . 0.7 OUTLIER -65.88 -2.64 4.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.882 0.373 . . . . 0.0 111.47 177.781 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -111.09 0.77 17.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.763 ' CE1' ' HA ' ' A' ' 785' ' ' VAL . 9.9 p-80 -162.22 165.6 26.62 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.968 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 173.87 105.66 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.027 171.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 47.34 48.96 16.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.811 0.695 . . . . 0.0 111.934 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 117.93 -105.53 1.26 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.945 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -152.54 49.93 0.75 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.271 0.558 . . . . 0.0 110.553 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -113.35 176.21 17.17 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.299 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -32.43 110.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 1 C-N-CA 125.328 4.019 . . . . 0.0 113.703 175.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -76.84 56.88 1.23 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.658 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -110.01 76.65 0.22 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.15 -76.84 0.53 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.751 0.31 . . . . 0.0 111.479 -173.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.443 ' CE2' HG13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -128.74 49.65 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.964 0.412 . . . . 0.0 110.427 -175.238 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.21 -38.97 78.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.19 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -71.23 -42.87 68.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.517 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.65 88.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.171 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 4.0 p -64.01 -40.71 96.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.73 -43.03 80.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.4 m -59.43 -46.42 88.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.677 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 829' ' ' LEU . 5.5 mt -61.28 -54.75 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 778' ' ' LEU . 1.7 mt -52.04 -49.24 63.83 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.43 0.457 . . . . 0.0 111.118 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.3 m -61.82 -35.85 79.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.2 t -65.82 -47.4 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.565 177.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.79 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.039 0.447 . . . . 0.0 110.4 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -35.95 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.984 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.213 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 822' ' ' MET . 5.4 mt -65.08 -35.33 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.555 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.85 -27.31 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.439 . . . . 0.0 110.411 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -28.64 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.817 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.619 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.7 p -95.96 13.26 27.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.805 -177.19 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.715 ' HG2' HD12 ' A' ' 763' ' ' LEU . 5.9 ttm -64.33 98.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.257 0.551 . . . . 0.0 110.633 -177.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.64 7.31 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.684 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -14.25 59.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.224 0.535 . . . . 0.0 110.606 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 66.96 -72.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.528 -1.215 . . . . 0.0 112.771 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.18 -53.4 43.01 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.677 -0.297 . . . . 0.0 113.108 -174.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.57 -36.69 79.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.738 ' HG2' HG23 ' A' ' 812' ' ' ILE . 6.6 mtp -59.99 -51.48 69.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.393 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.51 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.501 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -57.71 -55.97 27.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.791 ' HA ' HD12 ' A' ' 828' ' ' ILE . 59.3 mm-40 -64.61 -35.96 82.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.8 79.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.941 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 12.3 mtp-105 -68.03 -39.85 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.283 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.9 mt -65.61 -37.72 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.974 175.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.1 tp -57.75 -49.03 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.057 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.492 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -59.91 -39.3 84.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.816 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -44.61 89.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.089 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -68.83 -50.23 51.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.638 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.515 ' HA ' ' HB3' ' A' ' 836' ' ' LEU . 2.6 m -65.39 -32.09 73.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -176.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.8 m -59.94 -38.19 81.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.181 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -80.16 -36.21 35.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.373 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 840' ' ' ILE . 16.6 tp -61.25 -52.2 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.983 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.633 HG13 ' HB1' ' A' ' 860' ' ' ALA . 60.1 t -62.4 -38.08 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.818 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -65.74 -40.23 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.572 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.733 HD11 HD21 ' A' ' 781' ' ' LEU . 0.8 OUTLIER -65.2 -43.97 95.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.944 175.587 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -60.8 -32.78 72.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.62 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.64 72.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.138 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -73.66 -43.31 59.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.635 0.255 . . . . 0.0 110.974 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.78 73.95 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.98 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -77.35 91.42 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 126.86 -9.77 7.12 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 853' ' ' SER . 7.7 tp10 -63.58 131.52 48.32 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 4.0 m -67.33 -41.9 84.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.71 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 9.1 t70 -78.72 109.48 12.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.75 -22.17 60.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.035 -173.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -78.35 -47.31 17.99 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.061 175.389 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 1.0 OUTLIER -63.28 -35.59 80.88 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.889 179.596 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 847' ' ' GLU . 97.0 p -59.47 -40.33 86.6 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -64.02 -46.33 84.96 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.221 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 14.7 mmtp -54.57 -39.05 67.39 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.717 0.77 . . . . 0.0 110.46 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 853' ' ' SER . 2.5 mt -55.03 -49.91 70.39 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.56 -24.87 56.72 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.61 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -46.3 68.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 110.264 175.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.41 -40.59 97.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.435 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.633 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -66.52 -30.94 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.862 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -63.16 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.414 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.7 mt -72.2 -40.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.082 175.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -53.36 -57.02 12.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.096 178.587 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.61 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.28 -43.72 98.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -177.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.63 -47.72 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.446 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.44 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.029 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.669 HG23 ' HG ' ' A' ' 829' ' ' LEU . 93.9 m -61.8 -39.29 91.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.234 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.56 -39.68 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.275 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.533 ' HE3' HG21 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -60.94 -49.22 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 177.759 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -37.81 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.8 OUTLIER -67.84 -48.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.17 90.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.69 72.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.886 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.39 77.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -71.97 -44.48 45.93 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.826 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -71.44 -36.21 71.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.512 -0.404 . . . . 0.0 110.629 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -85.94 15.54 4.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.178 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.26 69.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.094 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -106.71 102.17 40.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.561 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.08 56.66 5.51 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.44 2.093 . . . . 0.0 110.566 173.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.58 -16.07 56.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.629 -176.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.37 152.89 44.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.974 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -83.28 52.28 2.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.894 0.378 . . . . 0.0 111.601 -173.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.57 75.92 5.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 58.21 35.41 24.98 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.874 -177.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -80.75 -27.31 36.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.444 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -86.93 136.85 32.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.592 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.016 -177.586 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.85 134.43 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.524 0.202 . . . . 0.0 110.474 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -70.97 100.83 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.99 120.38 7.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.269 -172.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -90.89 150.72 21.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.74 90.47 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.983 0.177 . . . . 0.0 111.26 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . 74.76 -50.38 0.67 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.922 0.763 . . . . 0.0 110.404 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.47 56.71 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -55.12 132.51 47.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.633 -174.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.19 -55.25 0.76 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.146 -177.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -154.48 66.94 0.31 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.4 34.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.726 0.298 . . . . 0.0 110.54 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.402 ' O ' ' HB ' ' A' ' 767' ' ' VAL . 1.0 OUTLIER -56.79 -55.43 34.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.537 -176.808 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 68.0 mt -96.6 -35.04 11.2 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.76 0.314 . . . . 0.0 110.343 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -46.06 90.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.048 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -95.82 -63.14 0.96 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.512 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 767' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 763' ' ' LEU . 2.4 t -61.09 -42.99 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 -176.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.67 -56.45 24.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.579 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 111.207 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 770' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -64.64 -43.5 93.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.96 95.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.857 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 38.0 m -60.39 -43.1 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.555 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -57.44 -44.86 85.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.196 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.74 -48.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.86 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.6 m -59.41 -38.29 80.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -67.54 -47.02 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 777' ' ' ALA . . . . . 0.434 ' HB1' HD22 ' A' ' 863' ' ' LEU . . . -61.39 -45.43 94.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 802' ' ' THR . 7.2 tp -63.96 -43.16 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.25 -44.76 96.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -51.35 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.495 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.694 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.205 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 786' ' ' LYS . 4.3 mt -56.64 -46.03 81.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.705 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.17 -38.7 85.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.108 0.48 . . . . 0.0 110.19 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.475 ' NE2' ' HB3' ' A' ' 855' ' ' LYS . 0.1 OUTLIER -63.14 -44.96 94.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.168 -178.654 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 88.6 t -73.62 -39.03 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 786' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -63.53 -38.98 93.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.736 0.303 . . . . 0.0 111.245 -179.5 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.87 57.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.912 0.387 . . . . 0.0 111.133 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 11.1 m80 -123.89 -128.42 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.729 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 52.32 63.28 2.3 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.635 0.584 . . . . 0.0 110.559 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.66 59.84 4.35 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.405 0.621 . . . . 0.0 111.378 -173.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -149.86 106.76 0.33 Allowed Glycine 0 N--CA 1.44 -1.06 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.96 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -71.09 81.14 0.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.94 0.4 . . . . 0.0 110.747 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 172.99 -89.48 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.649 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.94 44.49 1.73 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.099 2.532 . . . . 0.0 113.415 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -125.03 -88.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.749 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 59.53 28.63 65.32 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.11 24.57 0.27 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.04 0.936 . . . . 0.0 112.507 -176.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 45.21 54.73 6.93 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.322 0.582 . . . . 0.0 110.228 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.55 -46.58 73.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.746 -1.116 . . . . 0.0 112.602 -171.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -74.2 -43.19 58.15 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.884 -177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 805' ' ' ILE . . . -58.55 -51.03 71.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.572 ' HA ' HD11 ' A' ' 778' ' ' LEU . 15.5 p -63.95 -42.98 97.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -178.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.85 -46.44 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.959 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 27.6 m -59.0 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.591 HG23 HD11 ' A' ' 829' ' ' LEU . 3.3 mt -57.1 -57.38 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.823 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -47.08 74.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.28 0.362 . . . . 0.0 111.513 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 13.6 m -59.41 -34.62 72.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.719 0.295 . . . . 0.0 110.845 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.65 HG11 ' HB2' ' A' ' 829' ' ' LEU . 40.2 t -74.37 -46.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.174 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.144 0.497 . . . . 0.0 110.022 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -37.09 85.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.834 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.05 -47.51 86.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.644 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.4 mt -66.1 -36.94 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.664 0.268 . . . . 0.0 110.822 -178.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.45 -30.75 68.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.154 0.502 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 2.8 m -88.11 -34.86 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.077 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 815' ' ' SER . . . . . 0.644 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 19.5 p -83.48 -2.25 55.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.595 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 mtt -47.31 108.21 0.14 Allowed 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.618 0.574 . . . . 0.0 110.585 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.37 -44.73 1.18 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 818' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 821' ' ' GLU . 37.7 t70 -87.59 95.53 10.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.71 72.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.439 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.62 -55.52 28.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.669 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.481 ' HB2' ' OD2' ' A' ' 818' ' ' ASP . 6.7 tp10 -64.69 -42.31 95.42 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.651 0.263 . . . . 0.0 110.885 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 15.2 mtp -56.69 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.007 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 875' ' ' LYS . 80.8 t -69.27 -41.35 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 0.0 110.491 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.466 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.3 OUTLIER -58.24 -54.3 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.96 ' HA ' HD12 ' A' ' 828' ' ' ILE . 48.2 mm-40 -64.59 -33.63 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.49 -38.34 74.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.197 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.424 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 20.3 mtt-85 -68.0 -38.64 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.284 0.564 . . . . 0.0 110.194 178.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.96 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.2 mt -63.81 -37.91 80.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.921 176.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.65 ' HB2' HG11 ' A' ' 808' ' ' VAL . 3.8 tp -61.12 -49.05 78.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.167 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.28 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.284 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.16 -43.43 98.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.041 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.88 -50.04 70.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 1.8 m -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.613 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.8 m -61.56 -38.55 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.529 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -77.11 -39.65 48.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.454 HD22 HD13 ' A' ' 805' ' ' ILE . 15.2 tp -59.94 -52.1 66.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 864' ' ' ALA . 48.1 t -62.5 -43.66 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -63.69 -35.87 81.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.072 -178.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.43 75.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 781' ' ' LEU . 3.1 mt -67.98 -36.79 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.917 ' HE2' HD22 ' A' ' 857' ' ' LEU . 0.0 OUTLIER -57.85 -39.17 77.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.687 179.097 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.03 -46.33 29.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.073 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.47 -48.6 81.07 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.176 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.668 ' HB3' HD21 ' A' ' 857' ' ' LEU . . . -63.6 -18.64 64.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.202 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 845' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 79.5 mm-40 -71.94 -25.91 62.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.921 0.391 . . . . 0.0 110.533 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -86.84 -18.4 58.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.801 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.24 120.38 17.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 1.1 m -72.0 -22.93 61.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.055 0.455 . . . . 0.0 110.724 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.22 96.62 2.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.307 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 850' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 850' ' ' LEU . 0.3 OUTLIER -73.88 -23.17 59.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -176.672 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 851' ' ' GLU . . . . . 0.66 ' O ' ' HD2' ' A' ' 855' ' ' LYS . 1.8 mm-40 -66.22 -49.92 65.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.63 -47.54 78.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.683 178.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 57.0 p -59.8 -44.63 93.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.978 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 854' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 851' ' ' GLU . 10.1 mtp-105 -59.23 -45.48 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.931 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.66 ' HD2' ' O ' ' A' ' 851' ' ' GLU . 6.8 mttp -58.41 -42.91 88.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.419 0.628 . . . . 0.0 110.138 176.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.436 ' HA ' HD23 ' A' ' 856' ' ' LEU . 11.0 mt -60.59 -49.84 75.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.912 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.917 HD22 ' HE2' ' A' ' 841' ' ' LYS . 3.0 mt -76.05 -29.28 57.97 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.835 -175.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.459 ' O ' HG13 ' A' ' 862' ' ' ILE . 13.2 m -72.53 -31.95 65.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 174.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -69.44 -44.05 72.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.882 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.504 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.33 -32.2 72.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.47 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -40.06 87.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.407 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 859' ' ' ALA . 1.7 mt -73.38 -36.83 49.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.366 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -52.19 -56.49 14.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.713 178.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -68.49 -40.95 80.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.6 -52.44 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.097 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.52 81.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 829' ' ' LEU . 43.9 m -68.66 -34.25 75.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.246 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.89 79.98 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.193 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -40.48 94.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 829' ' ' LEU . 0.0 OUTLIER -62.59 -52.28 64.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.032 178.092 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -35.4 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.65 -42.38 64.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.43 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.85 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.571 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.245 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 823' ' ' VAL . 11.7 mtmt -69.96 -39.62 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.586 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.0 -38.42 94.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.78 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -84.62 10.43 11.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -70.38 -58.17 4.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.681 0.277 . . . . 0.0 111.08 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -168.61 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.534 . . . . 0.0 110.227 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.84 130.55 2.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.599 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.99 64.08 4.1 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.464 2.109 . . . . 0.0 111.571 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.32 49.7 1.18 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.775 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -171.93 1.96 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.527 -176.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 884' ' ' GLU . . . . . 0.478 ' HG3' ' H ' ' A' ' 884' ' ' GLU . 0.3 OUTLIER -64.68 145.39 56.27 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.16 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 153.78 51.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.54 -174.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 71.34 -58.05 0.59 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.814 173.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -81.66 104.34 12.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.778 0.323 . . . . 0.0 110.319 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -141.87 91.16 2.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.997 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.02 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -50.94 64.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.147 0.498 . . . . 0.0 110.222 177.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.86 -48.38 2.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.384 176.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.83 -151.32 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.428 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -120.41 57.55 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.168 0.508 . . . . 0.0 109.712 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -104.47 -64.68 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.72 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -90.45 -4.65 56.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.924 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 758' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 760' ' ' ASP . 6.5 m 73.37 -54.69 0.69 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.393 0.677 . . . . 0.0 111.769 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 61.46 46.99 7.04 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.364 0.602 . . . . 0.0 110.776 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 760' ' ' ASP . . . . . 0.486 ' HB2' HG22 ' A' ' 758' ' ' THR . 2.9 t70 -116.18 -160.07 0.74 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.574 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -81.71 57.01 4.94 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.387 -0.435 . . . . 0.0 112.051 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.74 -20.12 65.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.931 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.447 HD12 ' SD ' ' A' ' 816' ' ' MET . 1.2 mm? -56.83 -47.48 80.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.315 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.92 -35.47 22.09 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.545 -178.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -47.27 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.148 -178.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -94.57 -64.4 1.01 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.516 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 767' ' ' VAL . . . . . 0.437 HG23 ' H ' ' A' ' 767' ' ' VAL . 1.3 t -63.37 -44.56 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.577 0.227 . . . . 0.0 111.109 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.45 -49.66 67.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.42 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.95 90.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.5 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 771' ' ' ALA . . . . . 0.581 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -63.85 -42.33 97.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 9.8 m -65.28 -33.89 77.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 32.6 t -66.66 -46.38 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 0.0 110.358 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 775' ' ' THR . . . . . 0.68 HG23 HD21 ' A' ' 806' ' ' LEU . 21.7 m -56.05 -40.93 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.115 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -74.07 -42.47 60.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.5 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.514 HD13 HG21 ' A' ' 805' ' ' ILE . 2.5 tp -62.67 -39.14 92.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.748 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.88 -51.77 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.016 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.539 HD21 HD11 ' A' ' 840' ' ' ILE . 1.8 tp -64.04 -40.67 96.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.439 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.2 mt -54.95 -55.39 31.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.73 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -66.98 -31.7 72.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.963 0.411 . . . . 0.0 110.599 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.534 ' NE2' ' HB3' ' A' ' 855' ' ' LYS . 49.0 t60 -70.78 -34.87 72.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.281 -177.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.447 HG11 ' CE1' ' A' ' 798' ' ' TYR . 53.1 t -78.93 -46.96 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.788 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -58.27 -31.18 67.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.707 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -97.17 7.4 46.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.697 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -147.93 -119.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.245 -0.182 . . . . 0.0 111.033 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.403 ' HB1' ' CB ' ' A' ' 795' ' ' ALA . . . 62.38 -167.08 0.21 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.506 0.504 . . . . 0.0 111.322 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 19.4 p -84.67 -28.21 26.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.167 0.508 . . . . 0.0 110.959 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 98.77 -74.13 0.55 Allowed Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -118.01 105.8 12.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.01 0.433 . . . . 0.0 110.478 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.412 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . 162.1 -127.86 1.79 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.927 -178.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.412 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 7.8 Cg_exo -72.73 -16.02 26.71 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.035 2.49 . . . . 0.0 112.172 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.411 ' HB2' ' CG ' ' A' ' 843' ' ' ASP . . . -78.63 -86.68 0.06 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 69.72 -106.27 1.77 Allowed Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -170.97 99.44 0.22 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.278 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.447 ' CE1' HG11 ' A' ' 785' ' ' VAL . 0.0 OUTLIER -78.48 41.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.541 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -27.68 67.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.741 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -40.92 51.77 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.46 79.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.671 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.476 HG22 HD11 ' A' ' 778' ' ' LEU . 4.8 p -63.6 -39.78 95.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.11 -41.26 99.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.421 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 808' ' ' VAL . 24.5 m -59.07 -44.93 91.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 177.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 778' ' ' LEU . 5.2 mt -58.27 -53.21 49.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.351 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.68 HD21 HG23 ' A' ' 775' ' ' THR . 2.4 mt -56.46 -40.04 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 16.6 m -64.8 -34.23 77.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.712 0.291 . . . . 0.0 110.733 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 829' ' ' LEU . 46.4 t -71.67 -50.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.052 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 809' ' ' THR . . . . . 0.581 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -60.07 -42.74 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.426 . . . . 0.0 110.533 177.501 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.03 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.305 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 811' ' ' ASN . . . . . 0.446 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 0.9 OUTLIER -58.4 -50.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.277 176.64 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.523 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.2 mt -59.04 -36.35 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.377 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.698 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.6 m -78.13 -38.29 44.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.023 0.44 . . . . 0.0 110.92 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.5 m -93.37 28.6 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.447 ' SD ' HD12 ' A' ' 763' ' ' LEU . 0.0 OUTLIER -63.19 95.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 178.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 138.54 -18.94 3.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.79 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.3 89.99 4.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 174.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.92 71.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.691 -174.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -64.03 -50.54 59.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.317 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.58 -37.45 87.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.55 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.523 ' HG2' HG23 ' A' ' 812' ' ' ILE . 32.6 mtp -63.05 -48.78 77.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 178.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 875' ' ' LYS . 30.4 t -59.45 -45.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.366 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -47.31 86.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.736 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.0 OUTLIER -61.23 -46.85 88.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.101 179.097 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.15 -31.13 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.357 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -71.57 -34.93 70.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.874 0.368 . . . . 0.0 110.351 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 825' ' ' GLN . 8.1 mt -65.79 -40.48 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 173.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.687 ' HB2' HG11 ' A' ' 808' ' ' VAL . 8.7 tp -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.289 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.551 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.66 -44.92 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.14 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -63.63 -44.98 92.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.95 -49.59 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.64 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.4 m -65.21 -36.92 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.8 m -57.92 -38.4 75.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.479 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.56 -46.95 62.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.277 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 836' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 840' ' ' ILE . 31.4 tp -56.02 -51.9 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.372 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.615 HG13 ' HB1' ' A' ' 860' ' ' ALA . 78.6 t -59.94 -37.56 72.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.435 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -66.02 -39.23 90.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.27 86.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.865 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.539 HD11 HD21 ' A' ' 781' ' ' LEU . 3.6 mt -65.74 -38.92 83.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.1 OUTLIER -60.16 -39.25 85.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 178.729 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.11 -37.98 57.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.346 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.411 ' CG ' ' HB2' ' A' ' 795' ' ' ALA . 11.2 t70 -69.11 -49.89 53.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.896 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -61.78 -18.59 60.46 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.666 -177.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -62.62 -35.14 78.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -123.22 48.09 0.98 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.522 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' GLU . . . . . 0.459 ' CD ' HD22 ' A' ' 852' ' ' ASN . 0.0 OUTLIER -99.87 -179.79 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 -178.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.02 56.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.967 0.413 . . . . 0.0 111.572 -175.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 3.9 t70 -172.31 -161.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.85 -51.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.92 -34.78 71.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.813 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 42.6 t30 -64.43 -41.54 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.141 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.56 -44.74 85.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.155 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -59.12 -45.03 91.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.53 -43.95 72.38 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.835 175.045 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.402 HD22 HG23 ' A' ' 840' ' ' ILE . 5.2 mt -60.87 -50.08 74.89 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.366 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -23.75 56.23 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.278 -176.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.486 ' O ' HG13 ' A' ' 862' ' ' ILE . 29.5 m -68.37 -46.19 70.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.87 -42.31 97.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.615 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -60.86 -36.5 79.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 177.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.26 99.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.386 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 859' ' ' ALA . 14.9 mt -62.61 -42.66 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.413 177.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.5 OUTLIER -53.13 -50.26 64.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.409 178.249 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.72 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.653 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.96 -46.65 86.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.986 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.02 81.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.616 HG23 ' HG ' ' A' ' 829' ' ' LEU . 89.4 m -67.44 -39.36 85.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.28 -42.3 96.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -58.32 -43.41 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.22 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -49.01 75.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.081 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -37.99 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -68.9 -41.71 77.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.669 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.82 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.114 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.064 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.474 ' HG3' HG22 ' A' ' 823' ' ' VAL . 0.4 OUTLIER -71.9 -28.21 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.377 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -75.87 -24.9 68.3 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.353 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -86.2 1.34 51.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.846 0.355 . . . . 0.0 111.087 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -78.75 83.6 4.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.006 0.431 . . . . 0.0 110.384 178.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -70.88 108.4 4.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.899 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -135.63 81.12 42.47 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -88.04 38.87 0.5 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.082 2.522 . . . . 0.0 112.471 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.67 10.91 23.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.92 76.54 4.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.148 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.05 -59.1 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.55 27.77 16.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.877 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -109.34 -32.29 7.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.81 58.42 0.69 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.693 175.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.511 ' H ' ' HG3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -105.65 -34.56 7.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.637 -177.778 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.851 -179.239 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -49.06 4.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.9 0.381 . . . . 0.0 110.165 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 753' ' ' HIS . . . . . 0.494 ' HB3' ' HG3' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -178.04 147.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.458 -178.782 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 8.0 tpp -85.11 71.88 10.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.168 0.509 . . . . 0.0 110.484 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 755' ' ' GLN . . . . . 0.494 ' HG3' ' HB3' ' A' ' 753' ' ' HIS . 0.0 OUTLIER -107.21 -55.9 2.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.402 178.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -112.04 33.76 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.317 0.579 . . . . 0.0 110.217 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -139.05 28.88 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.276 -178.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.94 -4.89 18.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.34 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.26 -173.64 2.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.85 176.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -85.93 63.18 7.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.244 0.545 . . . . 0.0 110.489 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 65.87 46.46 82.14 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.234 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.94 -28.66 67.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.641 0.258 . . . . 0.0 111.684 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -39.56 92.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.637 178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 1.2 mp -84.34 -34.47 23.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.867 0.365 . . . . 0.0 110.377 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 765' ' ' ARG . 5.1 mmm180 -62.21 -51.11 69.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.784 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -89.16 -66.91 1.25 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.522 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.8 -45.87 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.359 0.123 . . . . 0.0 111.256 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.43 60.29 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.589 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.55 74.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.767 0.318 . . . . 0.0 111.056 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.96 95.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.305 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 771' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -63.41 -46.79 84.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.667 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 24.5 m -61.09 -29.99 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.33 83.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.329 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 68.6 t -71.65 -46.38 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -43.05 78.84 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.719 176.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.08 -49.29 70.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.85 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.11 99.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.458 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 802' ' ' THR . 1.3 tp -61.13 -48.08 83.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.7 -34.45 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.7 -54.67 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.207 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.602 HD11 HD13 ' A' ' 840' ' ' ILE . 1.6 tp -62.22 -40.12 95.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.69 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.3 -54.6 44.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.625 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -39.85 77.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.508 0.671 . . . . 0.0 110.214 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 784' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 855' ' ' LYS . 48.5 t60 -68.08 -45.01 74.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.252 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.762 HG13 ' HB3' ' A' ' 789' ' ' ALA . 25.6 t -68.94 -39.12 79.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.91 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -29.16 34.7 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -117.34 0.68 12.28 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -176.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 87.7 m-70 -144.49 40.73 1.32 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.437 -175.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 789' ' ' ALA . . . . . 0.762 ' HB3' HG13 ' A' ' 785' ' ' VAL . . . -173.12 -67.83 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 O-C-N 123.473 0.483 . . . . 0.0 110.377 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.49 107.88 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.265 -178.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 152.89 -55.25 0.44 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.742 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -161.37 150.27 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.473 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . 78.23 -117.74 4.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.749 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.473 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 4.5 Cg_exo -76.13 54.17 4.08 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.253 2.635 . . . . 0.0 111.632 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -87.82 32.78 0.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.713 -174.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -74.38 103.38 1.5 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.411 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -90.89 106.19 18.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.181 0.515 . . . . 0.0 109.858 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 798' ' ' TYR . . . . . 0.451 ' HB3' ' HB3' ' A' ' 801' ' ' ALA . 0.6 OUTLIER -80.77 57.16 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.529 -176.8 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -50.56 59.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.04 -175.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -35.13 54.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.974 -176.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 801' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 798' ' ' TYR . . . -62.21 -51.08 69.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.457 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.606 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.8 p -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.885 0.374 . . . . 0.0 110.297 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -60.07 -50.36 74.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.984 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 62.0 m -59.07 -47.29 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.636 HG23 HD11 ' A' ' 829' ' ' LEU . 22.4 mt -60.31 -55.48 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 0.0 110.679 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.522 ' HG ' HD22 ' A' ' 778' ' ' LEU . 0.3 OUTLIER -55.79 -46.61 77.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.907 -179.318 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 93.6 m -63.3 -43.47 97.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.403 0.144 . . . . 0.0 111.099 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 825' ' ' GLN . 3.5 t -59.62 -47.34 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.307 . . . . 0.0 110.517 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.4 m -61.6 -41.95 98.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.11 -33.63 75.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.562 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.06 -40.18 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.2 mt -63.82 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.959 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.03 -42.13 93.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.824 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -33.9 52.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.929 -178.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.7 m -93.7 24.41 4.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 ttt -69.91 86.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 109.874 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.99 -30.65 0.44 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -98.58 96.94 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.647 ' HB3' ' HG3' ' A' ' 881' ' ' PRO . . . -61.36 -33.7 74.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.371 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -66.43 -49.1 58.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.873 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.86 -36.38 83.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.421 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.526 ' HG2' HG23 ' A' ' 812' ' ' ILE . 31.0 mtp -62.19 -51.38 68.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.757 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.22 -38.87 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 110.481 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ARG . . . . . 0.403 ' NH1' HE21 ' A' ' 825' ' ' GLN . 0.4 OUTLIER -54.84 -53.04 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.843 176.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 1.067 ' HA ' HD12 ' A' ' 828' ' ' ILE . 29.8 mm-40 -73.36 -31.86 64.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.0 76.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.412 . . . . 0.0 110.584 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -67.48 -38.42 84.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 1.067 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.1 mt -66.45 -40.65 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 109.721 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.764 ' HG ' HG23 ' A' ' 867' ' ' THR . 14.0 tp -55.93 -48.97 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.601 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.28 82.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.036 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.86 -54.04 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.935 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.61 -40.34 87.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.853 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 833' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 837' ' ' VAL . 7.5 m -69.47 -39.46 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.407 -178.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 44.7 m -60.09 -40.37 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.757 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.2 -36.76 77.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.767 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.12 -51.78 59.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.766 HG12 ' HE3' ' A' ' 841' ' ' LYS . 76.6 t -62.53 -42.85 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -178.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -61.09 -39.97 91.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.18 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.602 HD13 HD11 ' A' ' 781' ' ' LEU . 12.0 mt -66.54 -41.05 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.681 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 841' ' ' LYS . . . . . 0.766 ' HE3' HG12 ' A' ' 837' ' ' VAL . 3.1 mtmt -53.0 -47.54 68.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.196 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.5 -40.72 61.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.475 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -33.11 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.959 -174.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 844' ' ' ALA . . . . . 0.48 ' HB3' HD21 ' A' ' 857' ' ' LEU . . . -77.44 -18.36 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.801 0.334 . . . . 0.0 111.142 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.27 61.47 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.13 0.49 . . . . 0.0 110.431 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 157.04 45.95 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.64 165.92 11.58 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.978 0.418 . . . . 0.0 110.456 -176.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -44.75 85.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.052 174.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -111.63 136.26 51.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.756 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.32 -26.5 35.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.282 -177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.27 -42.22 62.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.014 0.435 . . . . 0.0 109.843 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -65.62 -40.05 92.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.606 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 853' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 10.5 p -64.93 -43.39 92.93 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -46.0 83.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.355 175.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 855' ' ' LYS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.33 -40.89 68.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.669 0.747 . . . . 0.0 110.777 176.387 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 853' ' ' SER . 5.1 mt -64.0 -49.82 70.94 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.343 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 857' ' ' LEU . . . . . 0.571 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.9 mt -75.65 -28.69 58.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.476 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 858' ' ' SER . . . . . 0.547 ' O ' HG13 ' A' ' 862' ' ' ILE . 67.2 m -59.84 -48.2 82.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.695 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -62.64 -41.32 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.604 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.618 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.69 -36.22 82.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.783 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -65.87 -39.45 90.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' A' ' 859' ' ' ALA . 13.5 mt -63.26 -41.82 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.17 -56.07 19.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 177.552 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.09 -41.29 98.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.549 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.0 -44.1 85.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.62 96.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.764 HG23 ' HG ' ' A' ' 829' ' ' LEU . 59.1 m -65.55 -33.16 75.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.581 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 868' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.29 -41.19 94.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 109.98 174.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -38.67 89.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.854 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.409 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -64.7 -48.74 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.961 178.385 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -37.12 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.124 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 872' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.04 -37.77 66.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.69 -179.361 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.7 -46.8 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.805 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.1 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.999 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -46.95 59.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.28 -26.21 74.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.277 -175.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -99.36 3.78 46.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.729 0.299 . . . . 0.0 111.149 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -71.06 -22.65 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.69 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 54.27 -105.38 0.26 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.878 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -156.89 87.34 2.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.907 0.384 . . . . 0.0 110.604 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 881' ' ' PRO . . . . . 0.647 ' HG3' ' HB3' ' A' ' 819' ' ' ALA . 92.5 Cg_endo -83.21 49.42 3.0 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.97 2.447 . . . . 0.0 112.167 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -81.03 54.21 2.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.232 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 2.5 m -157.36 136.98 12.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.09 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.73 86.11 7.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.303 0.573 . . . . 0.0 110.622 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.01 64.4 2.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.37 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -72.49 162.06 29.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.286 -175.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 887' ' ' GLN . . . . . 0.423 ' HB3' ' H ' ' A' ' 888' ' ' GLN . 2.5 mp0 64.22 -127.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.503 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 888' ' ' GLN . . . . . 0.423 ' H ' ' HB3' ' A' ' 887' ' ' GLN . 24.8 mt-30 57.45 34.98 25.38 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.444 0.64 . . . . 0.0 110.476 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.399 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.59 102.71 9.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.919 0.39 . . . . 0.0 110.323 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -149.69 -39.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.982 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 9.9 tpt -89.19 67.45 7.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.253 0.549 . . . . 0.0 109.763 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -129.16 133.73 47.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.195 -176.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -114.9 20.38 15.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.483 0.658 . . . . 0.0 109.286 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -83.7 33.4 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.462 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.32 -20.05 59.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.385 0.612 . . . . 0.0 110.105 176.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 759' ' ' GLU . . . . . 0.525 ' HG3' ' H ' ' A' ' 760' ' ' ASP . 0.8 OUTLIER -159.09 169.77 23.51 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.137 178.122 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 760' ' ' ASP . . . . . 0.525 ' H ' ' HG3' ' A' ' 759' ' ' GLU . 5.4 t70 -52.21 -48.19 65.22 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.081 0.467 . . . . 0.0 110.517 176.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 173.78 154.95 11.18 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.959 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.77 -13.54 0.96 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.008 0.432 . . . . 0.0 110.385 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 763' ' ' LEU . 1.3 mm? -69.28 -58.32 4.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.795 -177.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.74 -24.67 31.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.926 0.393 . . . . 0.0 110.299 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -54.73 27.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.574 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -91.14 -62.05 1.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.729 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 767' ' ' VAL . . . . . 0.403 HG21 ' HE1' ' A' ' 822' ' ' MET . 2.2 t -61.02 -41.4 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.543 0.211 . . . . 0.0 111.035 -177.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -55.59 -52.66 46.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.091 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.78 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.804 0.335 . . . . 0.0 111.003 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.98 97.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.221 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 23.8 m -63.42 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.388 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.26 92.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.807 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 774' ' ' VAL . . . . . 0.539 HG21 ' HG3' ' A' ' 870' ' ' MET . 78.1 t -63.49 -47.51 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.625 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 775' ' ' THR . . . . . 0.401 HG23 HD21 ' A' ' 806' ' ' LEU . 11.8 m -56.46 -41.61 76.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.302 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -75.7 -42.04 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.295 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.83 97.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 778' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 805' ' ' ILE . 6.3 tp -62.29 -42.94 99.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.28 178.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.43 -35.79 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -45.54 93.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.459 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 781' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -70.91 -44.28 66.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.888 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 782' ' ' LEU . . . . . 0.759 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.4 mt -57.34 -48.42 79.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.102 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.28 -28.99 67.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.044 0.45 . . . . 0.0 110.534 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -76.44 -52.37 9.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.922 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.406 HG23 ' HG ' ' A' ' 781' ' ' LEU . 98.3 t -64.33 -31.16 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.634 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 786' ' ' LYS . . . . . 0.574 ' HG3' ' HD2' ' A' ' 797' ' ' ARG . 6.8 ttmt -57.1 -28.41 62.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.864 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -118.64 -24.61 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.761 0.315 . . . . 0.0 111.767 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 788' ' ' HIS . . . . . 0.498 ' HB3' ' OD1' ' A' ' 852' ' ' ASN . 92.9 m-70 -118.84 77.15 1.15 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.305 0.574 . . . . 0.0 111.246 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -167.84 103.98 0.49 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.941 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -37.72 16.27 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.528 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 791' ' ' GLY . . . . . 0.611 ' HA2' ' HB2' ' A' ' 795' ' ' ALA . . . 130.86 120.24 2.18 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 119.728 -1.225 . . . . 0.0 114.06 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 792' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 843' ' ' ASP . . . -140.24 -39.51 0.44 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 169.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 793' ' ' GLY . . . . . 0.415 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . -107.58 -113.69 3.76 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 175.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 794' ' ' PRO . . . . . 0.459 ' HG2' ' HB1' ' A' ' 839' ' ' ALA . 22.9 Cg_exo -65.6 -43.21 10.61 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.697 2.264 . . . . 0.0 112.099 175.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ALA . . . . . 0.611 ' HB2' ' HA2' ' A' ' 791' ' ' GLY . . . 63.8 174.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.305 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 70.3 -83.79 0.34 Allowed Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.589 -0.732 . . . . 0.0 113.015 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 797' ' ' ARG . . . . . 0.574 ' HD2' ' HG3' ' A' ' 786' ' ' LYS . 3.1 mtp180 -160.09 155.84 25.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -117.13 57.99 0.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.6 -40.57 83.58 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.141 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 800' ' ' GLN . . . . . 0.437 ' NE2' ' HA ' ' A' ' 800' ' ' GLN . 0.9 OUTLIER -65.25 -37.03 85.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.363 . . . . 0.0 110.583 -179.041 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 801' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 805' ' ' ILE . . . -68.04 -50.33 56.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.389 178.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 802' ' ' THR . . . . . 0.759 HG21 ' HG ' ' A' ' 782' ' ' LEU . 1.5 p -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.68 -46.09 90.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 47.2 m -59.35 -46.15 89.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.779 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' ILE . . . . . 0.486 HG21 HD13 ' A' ' 778' ' ' LEU . 4.0 mt -64.34 -57.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.042 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 806' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 778' ' ' LEU . 1.8 mt -54.79 -44.03 73.39 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.354 0.409 . . . . 0.0 111.701 -175.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 30.0 m -59.4 -36.17 75.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 808' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 829' ' ' LEU . 8.7 t -73.45 -47.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.975 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.11 99.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.399 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -38.91 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.719 175.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.56 -44.87 93.15 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.956 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 812' ' ' ILE . . . . . 0.459 HG21 ' HE3' ' A' ' 870' ' ' MET . 1.4 mt -58.91 -35.62 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -178.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -66.73 -44.33 81.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -32.54 69.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.59 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -96.21 14.45 24.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.992 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 816' ' ' MET . . . . . 0.403 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 3.5 ttm -59.12 116.94 4.18 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 110.557 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.0 -42.36 1.48 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.88 75.84 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' ALA . . . . . 0.593 ' HB1' ' HA ' ' A' ' 878' ' ' ALA . . . -56.92 -29.74 63.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.644 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 820' ' ' GLY . . . . . 0.582 ' H ' ' HB3' ' A' ' 880' ' ' HIS . . . -61.83 -48.01 86.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.508 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.7 -39.15 77.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 110.01 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 822' ' ' MET . . . . . 0.55 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 22.7 mtp -56.04 -45.08 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.222 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 823' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 819' ' ' ALA . 56.9 t -63.61 -39.88 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.829 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -63.04 -48.16 79.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.054 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 825' ' ' GLN . . . . . 0.647 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.2 OUTLIER -60.74 -43.03 98.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.087 178.536 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.34 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.184 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 827' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 827' ' ' ARG . 0.0 OUTLIER -65.7 -40.07 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.009 0.433 . . . . 0.0 110.089 177.237 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 828' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.0 mt -65.96 -39.52 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.985 175.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 829' ' ' LEU . . . . . 0.821 ' HG ' HG23 ' A' ' 867' ' ' THR . 14.2 tp -57.29 -48.72 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.504 176.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 830' ' ' ALA . . . . . 0.437 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -57.98 -39.99 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -51.66 57.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.912 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.78 86.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.805 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 -36.28 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 834' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -63.35 -34.58 78.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.105 0.478 . . . . 0.0 110.181 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.81 -37.37 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.299 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.17 -51.67 62.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.077 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 837' ' ' VAL . . . . . 0.743 HG13 ' HB1' ' A' ' 860' ' ' ALA . 80.5 t -61.93 -40.02 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.191 -176.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.47 -32.77 74.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 111.119 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 839' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' A' ' 794' ' ' PRO . . . -65.09 -47.66 76.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.326 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 840' ' ' ILE . . . . . 0.671 HD13 HD11 ' A' ' 781' ' ' LEU . 4.9 mt -65.93 -33.64 64.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.445 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -45.71 91.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.67 177.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.61 -33.14 70.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.984 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' ASP . . . . . 0.404 ' OD2' ' HD2' ' A' ' 794' ' ' PRO . 0.3 OUTLIER -68.81 -49.03 61.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.57 178.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -69.36 -19.4 63.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.405 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.26 -35.63 77.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.444 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -125.43 39.55 2.04 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.045 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.78 154.46 41.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.821 0.343 . . . . 0.0 110.092 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 4.2 m -77.22 -28.97 53.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.993 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' ASP . . . . . 0.53 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 27.2 t70 -106.77 117.9 35.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.409 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -74.75 -16.68 60.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 0.0 110.73 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.54 -45.14 22.57 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.637 173.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 852' ' ' ASN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 24.1 t30 -60.67 -37.39 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.556 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 77.5 p -57.29 -43.29 83.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 110.461 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -62.7 -43.27 99.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -59.92 -45.36 92.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.684 0.754 . . . . 0.0 110.089 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 856' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 856' ' ' LEU . 9.0 mt -57.19 -49.78 74.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.52 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.02 -25.06 55.35 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.709 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.8 m -64.58 -45.4 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 859' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -69.04 -38.84 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 860' ' ' ALA . . . . . 0.743 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.34 -35.69 79.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.096 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.07 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.525 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 862' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 859' ' ' ALA . 10.5 mt -64.47 -37.86 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.005 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 863' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -54.27 -55.6 26.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.459 176.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 864' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -66.72 -41.58 87.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.614 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.47 -50.71 66.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.4 75.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 867' ' ' THR . . . . . 0.821 HG23 ' HG ' ' A' ' 829' ' ' LEU . 58.9 m -65.46 -41.4 93.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 177.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.39 80.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.116 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -39.59 93.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.925 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 870' ' ' MET . . . . . 0.539 ' HG3' HG21 ' A' ' 774' ' ' VAL . 0.0 OUTLIER -58.81 -51.59 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.459 176.611 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -39.64 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.923 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.45 -47.56 60.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.63 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.601 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.88 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.973 0.416 . . . . 0.0 110.835 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 875' ' ' LYS . . . . . 0.41 ' HE2' HG13 ' A' ' 823' ' ' VAL . 17.9 mttm -75.62 -28.08 58.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.51 -39.89 79.01 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.941 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -93.57 38.83 1.06 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.131 0.491 . . . . 0.0 110.794 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 878' ' ' ALA . . . . . 0.593 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -76.08 85.69 2.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.32 0.581 . . . . 0.0 111.193 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -85.41 -11.73 53.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.324 174.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 880' ' ' HIS . . . . . 0.582 ' HB3' ' H ' ' A' ' 820' ' ' GLY . 1.1 t-80 -121.63 92.14 48.64 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.755 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.57 135.76 66.63 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.636 2.224 . . . . 0.0 111.823 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.73 71.92 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.765 . . . . 0.0 110.31 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 68.5 m -135.85 23.34 3.34 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.403 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 884' ' ' GLU . . . . . 0.514 ' H ' ' HG2' ' A' ' 884' ' ' GLU . 0.0 OUTLIER -76.96 -39.93 48.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.461 -177.25 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 55.99 -101.64 0.13 Allowed 'General case' 0 C--O 1.232 0.152 0 O-C-N 123.717 0.636 . . . . 0.0 110.562 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.83 139.49 41.76 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 173.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -75.74 67.31 2.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.097 0.475 . . . . 0.0 111.149 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.94 138.03 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.167 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.499 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.32 -46.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -174.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -55.8 -46.4 83.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.398 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.1 80.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 111.369 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.47 94.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.968 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.0 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.545 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 78.2 m -57.35 -39.88 76.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.159 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.88 77.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.784 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . 0.485 ' HB ' HG21 ' A' ' 809' ' ' THR . 45.9 t -70.23 -48.72 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.821 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.12 71.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.055 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -70.05 -51.82 28.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.734 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -57.47 -41.89 81.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.193 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 802' ' ' THR . 1.2 tp -58.86 -48.24 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -67.23 -39.22 86.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.562 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.44 -53.2 61.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.267 0.556 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.459 HD21 HD11 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -65.81 -41.31 92.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.067 -178.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.745 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.8 mt . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.779 0.323 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.745 HG21 ' HG ' ' A' ' 782' ' ' LEU . 1.1 p -67.62 -39.98 84.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.8 -43.43 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.791 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 48.4 m -63.16 -41.0 99.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.595 HG23 ' CD1' ' A' ' 829' ' ' LEU . 64.4 mt -64.0 -58.56 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.62 -45.31 57.5 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.471 0.482 . . . . 0.0 111.442 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.5 m -57.9 -37.97 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.547 HG13 ' HB3' ' A' ' 825' ' ' GLN . 3.9 t -68.78 -49.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.485 HG21 ' HB ' ' A' ' 774' ' ' VAL . 0.3 OUTLIER -60.25 -42.91 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.45 -31.11 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.51 -38.07 89.72 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.1 0.476 . . . . 0.0 110.313 176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.49 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.9 mt -65.21 -34.62 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.025 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.23 -43.15 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.318 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -34.58 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.2 m -102.17 28.49 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.42 -176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.67 96.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 129.8 -9.44 6.07 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.517 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.78 -21.23 37.89 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.167 0.508 . . . . 0.0 110.796 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.0 -65.82 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.008 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.62 -51.92 55.7 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.844 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.15 -32.22 71.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.919 0.39 . . . . 0.0 110.692 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.49 ' HG2' HG23 ' A' ' 812' ' ' ILE . 45.9 mtp -64.49 -51.44 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.522 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 56.5 t -63.78 -38.42 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 3.9 tpt180 -57.36 -54.33 48.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.677 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.761 ' HA ' HD12 ' A' ' 828' ' ' ILE . 44.8 mm-40 -64.86 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.18 74.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -70.36 -32.55 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.592 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.9 mt -72.6 -39.71 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.698 ' HG ' HG23 ' A' ' 867' ' ' THR . 9.5 tp -53.41 -48.93 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.681 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.78 -43.48 80.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.28 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.734 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.94 -49.53 74.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.875 -176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -66.5 -40.18 89.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.2 m -62.0 -35.61 79.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -41.48 75.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.334 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.75 -51.85 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.486 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.673 HG13 ' HB1' ' A' ' 860' ' ' ALA . 79.8 t -59.58 -42.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.976 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.65 -38.48 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.074 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.89 93.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.519 HG23 HD22 ' A' ' 856' ' ' LEU . 9.2 mt -62.62 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.724 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 8.2 tttm . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.868 179.128 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.519 HD22 HG23 ' A' ' 840' ' ' ILE . 10.2 mt . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.262 0.553 . . . . 0.0 111.822 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.78 -22.65 56.2 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.312 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 5.8 m -72.06 -46.22 57.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.658 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.673 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.34 -32.78 72.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 0.0 OUTLIER -62.05 -49.88 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.065 176.245 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 859' ' ' ALA . 3.8 mt -58.98 -39.69 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.23 -57.02 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.497 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -71.4 -38.0 71.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.318 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.4 OUTLIER -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.156 -178.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.33 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.777 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.698 HG23 ' HG ' ' A' ' 829' ' ' LEU . 79.7 m -65.13 -39.89 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.66 -39.84 95.35 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.384 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -33.64 74.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 177.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -49.0 65.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -31.38 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.41 0.624 . . . . 0.0 109.877 176.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 27.4 tt0 -66.53 -49.24 67.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.388 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.39 -43.14 74.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.592 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.09 79.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.238 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -77.09 -41.77 40.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.395 0 C-N-CA 121.144 -0.55 . . . . 0.0 113.05 -176.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.64 -40.63 62.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.601 0.239 . . . . 0.0 111.396 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.91 -47.33 90.79 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.587 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.93 86.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.65 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.645 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . 0.436 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -62.77 -46.16 89.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.774 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.9 m -61.35 -29.16 69.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.91 93.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.46 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.64 -43.26 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.333 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . 0.67 HG23 HD11 ' A' ' 806' ' ' LEU . 0.7 OUTLIER -54.55 -45.28 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.995 177.285 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -68.94 -44.85 72.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.077 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.43 97.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.244 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 806' ' ' LEU . 1.0 OUTLIER -63.4 -45.65 90.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.421 178.241 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -60.7 -41.61 95.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.391 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.59 -48.69 80.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.01 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.666 HD21 HD11 ' A' ' 840' ' ' ILE . 1.1 tp -65.68 -45.21 83.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.613 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 110.657 179.566 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.873 0.368 . . . . 0.0 110.643 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -42.88 95.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.127 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.08 -44.42 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.972 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 90.9 m -59.09 -45.35 91.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.526 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 829' ' ' LEU . 34.6 mt -56.96 -58.0 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.709 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.67 HD11 HG23 ' A' ' 775' ' ' THR . 8.4 tp -59.95 -33.33 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.698 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.8 m -64.59 -42.61 95.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.637 HG11 ' HB2' ' A' ' 829' ' ' LEU . 19.1 t -64.15 -43.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.805 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.436 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -62.28 -40.3 95.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.264 178.359 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.73 -42.27 99.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.371 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.19 -42.26 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.17 -39.2 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.44 -45.37 91.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.065 0.459 . . . . 0.0 110.416 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -45.34 71.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.259 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.2 19.98 3.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.7 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.415 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.0 OUTLIER -60.91 105.84 0.51 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.246 0.546 . . . . 0.0 110.055 177.556 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.34 -38.45 1.8 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -175.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.72 86.05 7.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -54.67 -37.75 66.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.88 -176.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.15 60.63 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.44 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.415 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 23.6 mtp -59.5 -49.98 75.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.9 -39.46 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.356 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -57.67 -52.6 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.781 ' HA ' HD12 ' A' ' 828' ' ' ILE . 45.3 mm-40 -62.54 -41.68 99.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.699 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.99 71.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.82 0.343 . . . . 0.0 111.405 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.46 -42.62 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.449 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 825' ' ' GLN . 5.3 mt -66.89 -36.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 176.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.637 ' HB2' HG11 ' A' ' 808' ' ' VAL . 12.8 tp -57.72 -49.05 77.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.291 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -61.41 -34.25 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.072 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.62 -49.58 31.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.19 86.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.677 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.429 ' HA ' HD11 ' A' ' 805' ' ' ILE . 6.6 m -64.83 -35.22 80.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.53 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.6 m -62.57 -41.22 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 110.436 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -38.87 84.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.132 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.45 -51.61 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.823 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -41.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.25 -44.83 95.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.658 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.11 87.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.666 HD11 HD21 ' A' ' 781' ' ' LEU . 3.6 mt -69.19 -40.0 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.672 178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.437 ' HD3' HD22 ' A' ' 857' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.605 178.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.9 mt . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 121.362 0.601 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.437 HD22 ' HD3' ' A' ' 841' ' ' LYS . 1.1 mt -75.84 -25.85 56.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.205 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.454 ' O ' HG13 ' A' ' 862' ' ' ILE . 68.4 m -70.21 -42.25 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -65.39 -43.29 91.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 176.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.35 72.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.757 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -33.64 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 859' ' ' ALA . 10.5 mt -71.51 -37.81 65.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.76 -53.67 48.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 176.597 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.48 90.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.031 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.55 -56.66 18.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.957 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.9 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.575 HG23 ' HG ' ' A' ' 829' ' ' LEU . 85.6 m -64.74 -42.91 94.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.11 -38.24 90.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.534 177.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -40.6 95.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.791 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -48.46 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.072 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.1 mm-40 -75.93 -36.08 59.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.32 -49.4 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.19 93.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -69.72 -39.76 76.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 -179.291 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.449 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 5.8 t -64.02 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.49 0.186 . . . . 0.0 111.18 -176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -59.06 -47.5 90.49 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.498 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.07 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.91 61.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.74 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 95.5 m -59.4 -40.13 85.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.894 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.12 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.11 -47.16 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.4 m -56.89 -43.68 81.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.54 -27.14 45.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.66 77.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 802' ' ' THR . 4.4 tp -63.86 -44.24 93.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.271 175.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -57.84 -45.25 86.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.353 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -58.78 -45.83 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.637 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.687 HD11 HD13 ' A' ' 840' ' ' ILE . 1.2 tp -62.39 -49.52 75.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.586 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 18.7 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . 0.456 ' O ' HD12 ' A' ' 805' ' ' ILE . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.641 0.258 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.566 ' HA ' HD11 ' A' ' 778' ' ' LEU . 12.8 p -64.0 -38.77 92.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.97 -48.2 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.65 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 23.6 m -59.15 -45.82 89.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 801' ' ' ALA . 2.8 mt -60.58 -52.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.678 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.71 -52.78 63.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.068 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.7 m -58.02 -43.66 86.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.313 0.383 . . . . 0.0 110.784 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.495 HG13 ' HB3' ' A' ' 825' ' ' GLN . 2.2 t -65.43 -50.29 73.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.067 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 812' ' ' ILE . 3.1 m -66.39 -39.19 88.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.774 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.13 -29.75 69.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.981 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -68.4 -33.55 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.0 mt -66.05 -32.36 57.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 0.0 110.574 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -66.13 -29.11 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -36.85 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.622 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 25.2 p -77.95 -5.89 52.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.451 -177.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.512 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.0 mtt -50.09 112.38 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.281 0.562 . . . . 0.0 110.667 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.9 -34.9 2.87 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -104.59 95.12 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -57.18 -38.57 73.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.87 -175.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.88 -50.37 66.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.91 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -68.81 -35.97 77.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 24.3 mtp -61.19 -45.73 93.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.4 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.149 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.07 20.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.454 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.812 ' HA ' HD12 ' A' ' 828' ' ' ILE . 83.7 mm-40 -63.46 -41.17 98.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.49 -37.28 72.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 827' ' ' ARG . 8.8 mtp180 -64.72 -43.16 94.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.659 177.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 825' ' ' GLN . 5.9 mt -68.25 -33.9 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.476 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.634 ' HG ' HG23 ' A' ' 867' ' ' THR . 8.4 tp -57.54 -48.79 78.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.107 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.9 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.557 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -43.23 89.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.014 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.68 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.586 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.9 m -64.93 -35.91 82.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 46.2 m -63.89 -27.91 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.292 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.06 -46.07 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.256 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.67 -51.8 68.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.289 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.81 -40.68 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.87 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -67.63 -37.82 83.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.828 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.94 67.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 781' ' ' LEU . 18.6 mt -64.3 -39.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.761 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 21.2 tttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.412 ' HB3' ' CG2' ' A' ' 840' ' ' ILE . 87.6 mt . . . . . 0 N--CA 1.443 -0.823 0 CA-C-O 121.349 0.595 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 7.4 mt -75.41 -29.23 59.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.545 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.8 -35.62 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.408 . . . . 0.0 110.384 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.21 77.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.273 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.56 -28.34 69.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.923 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -44.48 96.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.536 HG13 ' H ' ' A' ' 862' ' ' ILE . 0.6 OUTLIER -66.37 -36.96 78.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.164 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.7 OUTLIER -54.95 -51.86 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.223 177.387 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.8 82.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.299 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.57 -46.95 87.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.379 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.793 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.634 HG23 ' HG ' ' A' ' 829' ' ' LEU . 93.5 m -64.42 -39.98 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.865 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.25 -39.61 95.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.223 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.68 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.31 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.496 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.773 178.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -36.56 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.233 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 3.7 tt0 -66.64 -45.46 78.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.586 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.18 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.507 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.83 98.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -74.58 -34.85 62.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.442 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.348 179.884 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.752 0 N-CA-C 112.325 -0.31 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 767' ' ' VAL . 2.2 t -61.48 -51.37 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -174.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -53.75 -49.66 57.21 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.746 -179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.45 82.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.261 . . . . 0.0 111.433 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.39 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.131 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.21 99.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.016 0.436 . . . . 0.0 110.657 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 16.9 m -63.54 -37.45 87.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.461 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.46 98.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.06 -46.72 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.482 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 8.0 m -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.085 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.82 -41.85 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.02 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.57 89.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.809 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 802' ' ' THR . 6.3 tp -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.541 178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.62 -43.42 89.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.529 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -52.31 66.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.687 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 840' ' ' ILE . 1.5 tp -62.83 -38.18 89.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.3 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.9 mt . . . . . 0 C--N 1.328 -0.365 0 O-C-N 123.084 0.24 . . . . 0.0 111.48 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.696 0.284 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.525 ' HA ' HD11 ' A' ' 778' ' ' LEU . 23.2 p -66.49 -38.25 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.468 . . . . 0.0 110.584 -178.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.81 -45.54 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.991 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 89.4 m -61.33 -47.8 84.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.5 mt -59.87 -56.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.099 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.19 -52.55 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.253 -178.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 20.9 m -57.91 -42.97 85.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.221 0.326 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 2.1 t -65.08 -51.62 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.18 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.758 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.0 OUTLIER -63.32 -41.33 98.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 110.792 -178.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 22.1 tp10 -66.44 -29.67 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.202 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 27.7 m-20 -64.88 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.581 177.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.1 mt -62.53 -33.34 59.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.655 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . 0.427 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 41.7 m-85 -66.27 -37.4 85.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.547 177.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.32 -32.54 55.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.48 19.83 18.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.391 -176.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.569 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 ttm -64.77 98.86 0.29 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.36 -29.74 2.14 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -92.23 106.18 18.24 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -57.93 -47.52 82.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.638 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -65.24 -45.59 90.61 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.569 -175.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.6 tp10 -66.35 -43.08 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.492 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.645 ' HG2' HG23 ' A' ' 812' ' ' ILE . 12.5 mtp -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.18 -38.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.192 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -56.42 -54.87 40.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.674 ' HA ' HD12 ' A' ' 828' ' ' ILE . 69.9 mm-40 -62.35 -42.19 99.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.54 70.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.98 -45.69 76.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.4 mt -65.2 -33.26 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.469 177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.622 ' HG ' HG23 ' A' ' 867' ' ' THR . 5.8 tp -60.07 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.328 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.408 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -60.54 -38.27 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.661 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -64.99 -49.34 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.83 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.92 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.104 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.0 m -65.17 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 56.2 m -61.31 -40.95 96.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.58 -40.67 69.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.15 -51.73 68.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' A' ' 860' ' ' ALA . 79.3 t -65.84 -36.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.581 -177.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -61.29 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.7 89.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.587 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.525 HD11 HD21 ' A' ' 781' ' ' LEU . 10.8 mt -61.69 -41.69 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.514 HD22 HG23 ' A' ' 840' ' ' ILE . 3.5 mt . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 121.317 0.58 . . . . 0.0 111.664 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.72 -25.5 56.66 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.872 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.431 ' O ' HG13 ' A' ' 862' ' ' ILE . 46.5 m -72.0 -41.12 67.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 175.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.8 -42.14 97.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.183 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.601 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.79 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.94 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -63.23 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.15 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.2 mt -63.5 -41.98 94.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.119 176.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -53.36 -56.79 13.87 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.914 177.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -64.75 -47.22 78.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.555 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.05 -45.34 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.459 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.16 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.447 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.622 HG23 ' HG ' ' A' ' 829' ' ' LEU . 95.0 m -66.19 -43.6 86.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.01 -40.56 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 110.39 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -64.43 -35.04 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.195 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.483 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -67.58 -48.95 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.687 177.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -39.04 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.406 . . . . 0.0 110.244 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.9 OUTLIER -68.6 -37.3 79.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.704 179.692 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -71.2 -51.0 27.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.25 89.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -73.7 -25.6 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.047 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 -179.707 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 N-CA-C 112.603 -0.199 . . . . 0.0 112.603 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.46 -43.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.51 0.195 . . . . 0.0 111.234 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.07 -48.01 85.55 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.678 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.52 -40.11 85.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.719 0.295 . . . . 0.0 111.07 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.03 75.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.25 82.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 14.8 m -63.85 -32.11 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.009 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.56 96.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.461 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.99 -41.09 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.3 m -59.26 -48.85 80.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -67.75 -42.06 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 780' ' ' GLU . . . -63.14 -41.14 99.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.576 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.771 HD22 ' HG ' ' A' ' 806' ' ' LEU . 1.1 tp -64.49 -45.43 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.769 0.319 . . . . 0.0 110.388 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.47 -33.59 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 777' ' ' ALA . 10.0 mm-40 -58.93 -53.01 63.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.999 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -63.58 -46.99 83.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.16 -178.269 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.711 -176.6 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . 0.449 ' O ' HD12 ' A' ' 805' ' ' ILE . . . . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.564 0.221 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.459 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.1 p -61.67 -37.19 83.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.261 0.553 . . . . 0.0 110.056 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.88 -46.01 91.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.667 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 12.0 m -59.25 -45.61 90.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.995 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 829' ' ' LEU . 1.4 mt -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.252 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' A' ' 778' ' ' LEU . 5.4 mt -58.17 -46.23 86.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.887 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.8 m -58.0 -48.34 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.284 . . . . 0.0 110.767 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 829' ' ' LEU . 17.1 t -62.37 -53.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.396 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.69 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.1 m -61.27 -37.14 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 5.1 tt0 -68.59 -33.95 74.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.275 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.01 -30.99 72.02 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.763 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -69.51 -26.85 32.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . 0.424 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 51.1 m-85 -70.42 -34.53 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.196 0.522 . . . . 0.0 109.865 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -32.2 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.857 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.61 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 54.6 p -90.87 -7.44 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.568 -176.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.645 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.1 ttt -53.13 114.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 111.054 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.26 -25.0 6.44 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.0 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -107.79 98.39 7.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -53.52 -43.76 68.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.976 -176.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.73 -50.89 60.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.127 -0.558 . . . . 0.0 113.344 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 5.4 tp10 -70.76 -40.02 72.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.913 0.356 . . . . 0.0 110.914 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 19.3 mtp -57.72 -44.31 85.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.74 -40.79 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.472 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.0 OUTLIER -58.35 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.734 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.817 ' HA ' HD12 ' A' ' 828' ' ' ILE . 74.6 mm-40 -63.02 -41.6 99.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.13 -37.03 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -64.26 -43.52 94.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.528 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.2 mt -66.65 -38.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.379 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.658 ' HG ' HG23 ' A' ' 867' ' ' THR . 6.2 tp -57.52 -49.02 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.534 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.05 -38.5 76.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.256 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -71.65 -49.27 41.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.77 80.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.82 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 837' ' ' VAL . 9.4 m -62.58 -38.16 89.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -41.09 87.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.587 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 805' ' ' ILE . 12.1 tp -60.55 -51.67 68.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.144 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.674 HG13 ' HB1' ' A' ' 860' ' ' ALA . 94.9 t -61.83 -43.16 96.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.932 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -63.57 -38.51 91.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.01 -49.31 77.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.886 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 781' ' ' LEU . 7.2 mt -65.41 -42.38 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.685 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 9.4 tttm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.823 178.832 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 15.8 mt . . . . . 0 CA--C 1.517 -0.321 0 CA-C-O 121.519 0.676 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 4.3 mt -75.77 -26.22 57.17 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.02 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 862' ' ' ILE . 42.5 m -75.12 -41.53 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.423 177.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.445 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -64.77 -42.43 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 177.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.674 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.78 -32.11 73.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -63.66 -41.14 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.693 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 859' ' ' ALA . 9.4 mt -64.42 -37.66 80.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.224 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.488 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.5 OUTLIER -53.87 -54.57 36.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.467 177.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.54 79.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.222 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.71 -46.39 87.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.96 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.658 HG23 ' HG ' ' A' ' 829' ' ' LEU . 77.9 m -65.53 -39.11 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.203 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.17 98.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.6 81.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.21 177.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.545 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -63.99 -49.37 72.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 176.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.429 HG22 ' HE3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -65.12 -33.51 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.474 178.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.54 -44.96 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.531 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.33 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.307 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.34 87.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.429 ' HE3' HG22 ' A' ' 871' ' ' VAL . 30.7 mttt -73.06 -37.63 66.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.943 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.39 -178.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.31 -0.316 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.93 -40.54 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.527 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.55 65.59 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.4 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.61 95.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -65.25 -47.94 75.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.364 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.39 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 50.3 m -62.66 -40.61 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.445 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.36 95.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.45 -49.94 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.9 m -58.44 -40.06 81.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.902 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -70.6 -45.95 64.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.59 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.11 0.481 . . . . 0.0 110.671 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.707 HD11 ' HA ' ' A' ' 802' ' ' THR . 5.0 tp -63.16 -44.31 95.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.426 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.1 -37.64 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.95 -47.29 85.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.25 0.548 . . . . 0.0 110.358 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -67.63 -39.12 84.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.404 177.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 782' ' ' LEU . 8.4 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.472 -178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.451 0.167 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.707 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.201 0.524 . . . . 0.0 110.565 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.03 -50.29 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.891 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.0 m -61.16 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.499 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 829' ' ' LEU . 6.5 mt -58.54 -51.41 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.589 0.233 . . . . 0.0 111.05 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -51.4 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.9 m -61.2 -42.2 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.403 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.23 -52.16 63.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.74 0.305 . . . . 0.0 110.987 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.719 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.2 m -63.02 -39.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -40.36 86.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.294 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -63.45 -37.84 88.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 809' ' ' THR . 5.2 mt -61.06 -38.39 79.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 110.408 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -62.54 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -28.9 64.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.543 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -103.98 22.66 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.417 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.9 ttm -63.09 102.37 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 136.27 -33.41 2.37 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -176.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -87.76 87.33 7.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -53.35 -42.86 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.896 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.95 -44.7 96.92 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.578 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.04 -40.95 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.386 . . . . 0.0 110.545 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.417 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 22.8 mtp -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.11 -41.24 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.362 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -54.74 40.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.54 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.666 ' HA ' HD12 ' A' ' 828' ' ' ILE . 56.4 mm-40 -63.84 -40.54 96.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.662 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.81 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -62.82 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.396 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 825' ' ' GLN . 16.7 mt -67.5 -42.97 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 176.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.603 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.9 tp -54.76 -48.82 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.149 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.85 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.88 -43.79 78.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.5 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.634 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.32 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.3 m -59.62 -38.2 80.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.11 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -42.78 78.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.32 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.471 HD23 ' HG ' ' A' ' 863' ' ' LEU . 24.9 tp -61.16 -52.16 66.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.489 HG13 ' HB1' ' A' ' 860' ' ' ALA . 87.8 t -63.61 -43.66 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.032 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.736 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.53 69.23 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.561 HD13 HD11 ' A' ' 781' ' ' LEU . 47.8 mt -61.68 -45.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.167 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 76.0 mt . . . . . 0 N--CA 1.446 -0.671 0 CA-C-O 121.121 0.486 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.5 mt -69.62 -30.26 67.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.996 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.1 m -72.04 -42.51 66.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.59 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.69 -39.29 93.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.369 176.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.489 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.91 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.247 176.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 859' ' ' ALA . 6.4 mt -68.15 -42.17 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.816 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.501 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -52.48 -54.62 29.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.666 177.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.49 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.221 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.8 75.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.123 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.603 HG23 ' HG ' ' A' ' 829' ' ' LEU . 91.6 m -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.347 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.1 94.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -59.23 -41.89 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.971 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.579 ' HA ' ' HB1' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -61.71 -50.91 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.91 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -36.82 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.642 -178.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.73 -39.7 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.628 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.16 -48.53 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.093 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.54 94.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.236 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -69.59 -37.98 77.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.71 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.229 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.462 -179.746 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 5.1 t -57.23 -49.22 80.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.561 0.219 . . . . 0.0 111.335 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.86 -48.89 75.0 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.732 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.81 80.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.667 0.27 . . . . 0.0 111.196 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.64 94.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.291 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.72 95.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 110.608 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -38.37 90.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.599 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.1 93.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.935 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.33 -46.91 91.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 110.426 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.4 m -58.33 -40.79 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.928 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -44.78 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.48 89.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.604 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.611 HD11 ' HA ' ' A' ' 802' ' ' THR . 5.4 tp -64.14 -48.33 76.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.516 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -60.13 -40.56 90.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.62 -55.42 35.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.478 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.448 HD11 HD13 ' A' ' 840' ' ' ILE . 0.8 OUTLIER -61.64 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.586 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.7 mt . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.598 0.237 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.611 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.7 OUTLIER -63.34 -42.33 98.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -177.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.74 -48.09 83.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.787 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 32.4 m -60.11 -47.53 85.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.482 HG21 HD13 ' A' ' 778' ' ' LEU . 6.1 mt -57.97 -53.14 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.742 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.38 -52.76 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.181 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.6 m -57.93 -42.81 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.121 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 10.1 t -68.54 -48.38 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.326 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.683 ' HA ' HD12 ' A' ' 812' ' ' ILE . 2.1 m -65.36 -39.57 92.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.063 0.459 . . . . 0.0 110.72 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -30.71 70.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 176.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.8 -34.58 78.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.945 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -66.21 -29.89 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.597 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.34 -39.46 93.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.12 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -27.33 53.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.646 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 23.7 p -94.15 -1.2 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.528 -176.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.496 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.7 ttm -59.62 101.19 0.1 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.247 0.546 . . . . 0.0 110.453 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 140.67 -40.35 1.38 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -100.07 85.56 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.664 ' HA ' ' HB2' ' A' ' 822' ' ' MET . . . -62.26 -25.59 67.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.927 -173.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.81 98.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.495 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.419 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 18.8 tp10 -72.52 -34.18 67.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.664 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 32.1 mtp -59.94 -51.26 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.99 -37.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.299 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.506 ' HD3' HD11 ' A' ' 828' ' ' ILE . 0.4 OUTLIER -57.88 -52.57 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.135 175.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 1.032 ' HA ' HD12 ' A' ' 828' ' ' ILE . 53.8 mm-40 -63.06 -42.25 99.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.458 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -56.69 -37.6 71.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.021 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -42.49 99.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.466 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 1.032 HD12 ' HA ' ' A' ' 825' ' ' GLN . 4.2 mt -66.77 -40.43 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.174 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.581 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.5 tp -56.84 -48.94 76.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.188 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.474 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.63 -44.17 80.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -68.33 -41.13 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.1 86.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.334 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.1 m -66.14 -33.34 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.184 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -43.4 91.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.8 -46.32 82.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.394 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.65 -52.02 66.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.758 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.591 HG13 ' HB1' ' A' ' 860' ' ' ALA . 86.0 t -66.22 -37.42 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.653 0.263 . . . . 0.0 110.971 -175.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -70.16 -35.69 74.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.06 95.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 837' ' ' VAL . 14.0 mt -65.77 -41.41 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.59 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 41.9 tttm . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.99 179.366 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 840' ' ' ILE . 93.5 mt . . . . . 0 N--CA 1.441 -0.881 0 CA-C-O 121.13 0.491 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 8.3 mt -71.31 -31.09 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.044 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.7 m -64.0 -39.55 94.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.525 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.95 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.591 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.4 -27.61 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.83 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.83 99.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.202 176.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.471 ' H ' HG13 ' A' ' 862' ' ' ILE . 2.8 mt -66.83 -41.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.865 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -52.52 -53.8 41.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.404 176.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.666 -177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.38 -45.77 91.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.96 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.3 87.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.435 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.581 HG23 ' HG ' ' A' ' 829' ' ' LEU . 82.1 m -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.53 -46.49 85.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -43.43 92.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.115 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.475 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -61.53 -52.17 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.818 178.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.4 HG13 ' HD2' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -62.6 -38.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.164 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.9 mm-40 -74.88 -33.47 62.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.981 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.44 -44.14 68.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.826 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.4 ' HD2' HG13 ' A' ' 871' ' ' VAL . 9.5 mttt -69.67 -42.39 74.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.509 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.9 179.276 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.45 0 N-CA-C 112.416 -0.274 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.6 t -62.92 -40.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.662 0.268 . . . . 0.0 110.79 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.16 -47.54 86.82 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.545 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.83 75.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.313 . . . . 0.0 110.849 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.47 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . 0.439 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -62.77 -44.72 95.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.7 m -63.94 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.306 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 33.2 t -65.13 -43.77 95.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.214 176.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 2.5 m -55.8 -45.28 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.743 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 780' ' ' GLU . 3.5 mm100 -66.39 -50.12 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.931 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . 0.426 ' HB1' HD22 ' A' ' 863' ' ' LEU . . . -57.25 -43.9 83.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.559 HD13 HG21 ' A' ' 805' ' ' ILE . 3.9 tp -64.25 -41.89 96.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.48 -41.01 93.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 70.2 mm-40 -63.24 -45.8 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.655 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.776 HD11 HD13 ' A' ' 840' ' ' ILE . 4.2 tp -61.35 -40.52 94.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.095 -175.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 782' ' ' LEU . 7.0 mt . . . . . 0 C--N 1.326 -0.438 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.134 -177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.655 0.264 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.418 ' O ' HD21 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -62.86 -40.58 97.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 0.0 110.32 178.222 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.46 -42.22 95.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.723 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 20.9 m -59.46 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.619 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.559 HG21 HD13 ' A' ' 778' ' ' LEU . 3.3 mt -57.71 -52.06 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.856 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 778' ' ' LEU . 1.9 mt -54.05 -47.99 71.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.5 m -61.13 -40.13 92.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 25.1 t -66.4 -47.54 83.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.8 m -62.35 -42.11 99.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 0.0 110.615 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.53 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.293 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.602 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 3.9 m-20 -61.79 -43.74 98.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.273 175.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -61.07 -42.13 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -59.77 -38.17 81.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.153 0.501 . . . . 0.0 110.509 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 6.5 m -83.65 -1.82 54.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.409 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.7 m -127.76 26.27 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.953 0.406 . . . . 0.0 110.549 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.69 108.85 1.52 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.757 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.3 -10.24 22.27 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.123 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.28 -31.82 58.47 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.145 0.498 . . . . 0.0 110.564 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.58 -62.61 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.754 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.31 -49.98 72.65 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.403 -0.427 . . . . 0.0 112.966 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.526 ' OE1' ' HD2' ' A' ' 824' ' ' ARG . 6.5 tp10 -64.99 -34.79 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.052 0.453 . . . . 0.0 110.221 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 51.1 mtp -62.85 -47.36 83.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.23 -39.7 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.263 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.668 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 0.1 OUTLIER -55.37 -51.44 66.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.309 175.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 1.024 ' HA ' HD12 ' A' ' 828' ' ' ILE . 55.5 mm-40 -64.79 -39.49 93.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.86 -33.53 70.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.668 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 11.3 mtt180 -64.11 -46.46 84.11 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.126 175.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 1.024 HD12 ' HA ' ' A' ' 825' ' ' GLN . 3.1 mt -63.24 -43.19 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.273 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.607 ' HG ' HG23 ' A' ' 867' ' ' THR . 13.3 tp -58.37 -48.93 79.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.5 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.85 83.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -60.89 -49.14 78.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.141 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.86 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.722 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 8.8 m -66.29 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.0 m -59.8 -42.12 92.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.091 0.472 . . . . 0.0 109.978 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.87 -42.63 66.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.244 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.69 -51.81 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.129 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.635 HG13 ' HB1' ' A' ' 860' ' ' ALA . 64.4 t -61.58 -42.74 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.772 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.63 -36.95 85.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.79 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.776 HD13 HD11 ' A' ' 781' ' ' LEU . 4.7 mt -63.4 -35.99 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.449 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 CA--C 1.515 -0.377 0 CA-C-O 121.356 0.598 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.508 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.2 mt -75.87 -22.69 55.92 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.138 -177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 862' ' ' ILE . 11.8 m -67.29 -36.33 81.32 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 173.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.673 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -72.14 -38.54 69.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.197 175.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.635 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.34 -33.78 75.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.512 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -64.04 -39.54 94.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.39 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 859' ' ' ALA . 9.7 mt -66.92 -40.42 85.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.993 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 781' ' ' LEU . 0.3 OUTLIER -52.72 -53.35 49.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 176.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.02 83.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.344 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.29 -48.65 80.83 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.248 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.85 88.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.879 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.607 HG23 ' HG ' ' A' ' 829' ' ' LEU . 86.2 m -66.15 -38.28 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.935 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.51 -43.15 91.02 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.199 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -33.8 76.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.085 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.439 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -66.07 -50.68 63.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.414 176.456 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -38.89 81.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.324 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 2.1 tt0 -68.52 -37.74 80.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.81 -44.95 65.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.086 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.89 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.391 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -77.84 -32.29 52.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.282 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.515 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.41 -44.71 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.552 0.215 . . . . 0.0 111.493 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.37 -54.7 35.52 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.559 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.77 0.319 . . . . 0.0 111.109 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.54 89.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.17 86.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 5.4 m -61.89 -35.15 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.8 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . 0.507 HG21 ' HG3' ' A' ' 870' ' ' MET . 41.3 t -63.91 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . 0.67 HG23 HD21 ' A' ' 806' ' ' LEU . 1.4 m -57.93 -44.79 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -69.22 -48.37 62.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.061 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.18 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.583 HD13 HG21 ' A' ' 805' ' ' ILE . 6.5 tp -61.45 -48.24 82.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.827 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.9 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.77 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.16 -57.7 7.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 110.644 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.464 HD21 HD11 ' A' ' 840' ' ' ILE . 1.0 OUTLIER -59.96 -38.7 83.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.359 -176.521 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.327 -0.393 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.294 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 120.647 0.26 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 778' ' ' LEU . 22.0 p -66.15 -35.01 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.959 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.4 -47.12 86.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.041 0.448 . . . . 0.0 109.997 175.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 7.5 m -59.98 -45.22 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.697 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 778' ' ' LEU . 9.9 mt -60.34 -55.77 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.67 HD21 HG23 ' A' ' 775' ' ' THR . 1.3 mt -56.17 -43.29 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 37.7 m -62.08 -38.12 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 110.269 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.579 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.3 t -62.03 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.445 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -43.26 95.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.062 0.458 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.51 -37.33 83.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.174 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -61.37 -48.53 80.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.785 HG21 ' HE1' ' A' ' 870' ' ' MET . 4.9 mt -61.54 -40.92 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.738 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -59.56 -43.89 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 9.7 m -74.92 -36.34 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.6 m -96.85 21.9 8.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.417 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 4.9 ttm -65.3 104.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.393 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.55 -25.32 4.02 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.935 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -74.0 -28.46 61.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.242 0.544 . . . . 0.0 110.366 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 823' ' ' VAL . . . 70.69 -60.8 0.49 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.424 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.08 -52.88 50.74 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.722 -177.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.22 -34.55 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.062 0.458 . . . . 0.0 110.078 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.463 ' HG2' HG23 ' A' ' 812' ' ' ILE . 33.8 mtp -62.08 -51.49 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.366 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.441 ' O ' ' HD3' ' A' ' 827' ' ' ARG . 95.4 t -62.59 -41.02 90.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -54.98 -53.87 50.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.686 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.771 ' HA ' HD12 ' A' ' 828' ' ' ILE . 68.8 mm-40 -63.55 -39.13 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.15 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.016 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 823' ' ' VAL . 3.5 mpp_? -66.6 -41.27 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.7 mt -69.41 -35.28 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.152 177.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.579 ' HB2' HG11 ' A' ' 808' ' ' VAL . 8.8 tp -57.11 -48.54 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.208 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.436 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -58.95 -36.91 75.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.15 -54.2 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.883 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.71 89.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.086 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 34.1 m -62.02 -37.47 85.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 39.2 m -62.95 -36.9 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.579 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.28 -40.5 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.099 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.44 -52.0 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.789 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.866 ' HA ' HD12 ' A' ' 840' ' ' ILE . 55.8 t -62.42 -33.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.799 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.96 -46.18 88.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.867 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 837' ' ' VAL . 5.4 mt -65.77 -44.37 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.022 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.449 -0.489 0 CA-C-O 121.526 0.679 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -31.9 59.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.934 -175.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 862' ' ' ILE . 52.7 m -66.05 -40.73 91.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.7 -41.32 98.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.082 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.477 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.55 -34.43 76.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.869 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -64.66 -39.97 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.242 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 859' ' ' ALA . 17.4 mt -65.08 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.53 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -54.49 -50.36 67.97 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.281 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.48 81.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.71 -50.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.044 0.449 . . . . 0.0 110.843 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.3 86.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.572 HG23 ' HG ' ' A' ' 829' ' ' LEU . 97.6 m -62.18 -42.76 99.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.96 99.57 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -41.2 96.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.087 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.785 ' HE1' HG21 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -62.35 -51.36 67.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.81 179.099 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -38.08 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.14 -49.49 67.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.753 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -43.64 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.44 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.91 90.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.054 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -30.42 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.733 -177.734 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.601 -0.2 . . . . 0.0 112.601 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.27 -39.23 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.733 0.302 . . . . 0.0 110.665 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -60.23 -53.44 45.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.495 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.73 99.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 111.01 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.1 -45.31 81.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.284 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.97 91.21 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.026 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 89.6 m -61.65 -37.46 84.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.66 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.445 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.13 -44.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.401 . . . . 0.0 110.472 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . 0.428 HG23 HD21 ' A' ' 806' ' ' LEU . 18.9 m -57.16 -42.24 80.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.99 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.38 -45.44 87.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.08 98.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.737 HD22 ' HG ' ' A' ' 806' ' ' LEU . 0.5 OUTLIER -62.02 -45.55 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.016 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -58.58 -37.87 76.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.3 -54.2 36.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.843 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -64.1 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.156 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 782' ' ' LEU . 4.6 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 110.535 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.705 0.288 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.46 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.6 OUTLIER -62.93 -39.73 95.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.568 178.293 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.41 -47.26 86.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.506 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.3 m -59.25 -45.42 91.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' A' ' 829' ' ' LEU . 20.2 mt -60.76 -53.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.945 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.737 ' HG ' HD22 ' A' ' 778' ' ' LEU . 0.1 OUTLIER -54.37 -46.49 73.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.5 m -61.95 -46.21 90.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 825' ' ' GLN . 2.6 t -57.97 -48.28 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.502 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.3 m -63.16 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.846 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.28 -41.44 98.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.157 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.85 -37.6 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.554 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.9 mt -64.96 -36.52 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.97 -47.4 86.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 110.453 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -35.82 80.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.319 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.0 m -98.52 22.56 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 9.5 ttm -67.09 96.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 0.0 110.456 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.16 -5.52 7.28 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.89 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.26 -22.62 30.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.229 0.538 . . . . 0.0 110.182 176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 67.69 -65.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.438 -1.256 . . . . 0.0 112.102 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.9 62.29 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.546 -0.359 . . . . 0.0 112.888 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -61.09 -38.79 87.52 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 40.0 mtp -60.5 -51.51 69.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.788 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.17 -39.1 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -54.76 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.555 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.624 ' HA ' HD12 ' A' ' 828' ' ' ILE . 50.4 mm-40 -63.38 -40.21 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.87 77.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.29 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -64.9 -42.14 95.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.957 0.408 . . . . 0.0 110.435 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.0 mt -68.12 -37.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.085 175.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.593 ' HB2' HG11 ' A' ' 808' ' ' VAL . 19.8 tp -57.51 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.353 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.513 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -62.08 -39.85 93.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.03 -45.85 83.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.05 69.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.59 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.5 m -62.42 -31.31 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -59.66 -45.73 91.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.02 -39.01 76.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.396 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 840' ' ' ILE . 27.4 tp -60.46 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.993 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.559 HG13 ' HB1' ' A' ' 860' ' ' ALA . 76.7 t -67.27 -40.8 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 0.0 110.554 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.65 -40.31 94.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.82 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.92 91.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.749 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.617 HD11 HD21 ' A' ' 781' ' ' LEU . 5.0 mt -61.62 -44.58 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 177.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.473 ' HA ' HD21 ' A' ' 857' ' ' LEU . 3.2 ttpt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.801 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 CA--C 1.516 -0.331 0 CA-C-O 121.398 0.618 . . . . 0.0 111.435 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 841' ' ' LYS . 3.5 mt -75.81 -22.44 56.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.514 -176.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 862' ' ' ILE . 51.9 m -73.0 -44.19 61.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.914 0.387 . . . . 0.0 110.007 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.66 -39.81 95.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.367 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.559 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.77 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.74 176.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -41.55 97.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.445 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 859' ' ' ALA . 6.7 mt -62.33 -42.55 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.497 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -54.75 -54.58 40.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.559 177.545 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -63.34 -48.77 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.39 -36.37 83.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.584 HG23 ' HG ' ' A' ' 829' ' ' LEU . 73.7 m -61.68 -41.03 97.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.846 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -66.85 -35.91 81.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.759 0.314 . . . . 0.0 110.734 177.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -63.98 -41.71 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.539 ' HA ' ' HB1' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -68.24 -50.24 55.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.093 179.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.689 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.48 -33.21 64.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.38 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.889 0.376 . . . . 0.0 110.462 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.09 89.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -35.93 82.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.795 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.259 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.61 179.114 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 112.85 -0.1 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.12 -42.32 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.41 -47.32 88.93 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.458 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.09 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.693 0.282 . . . . 0.0 111.152 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.77 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.488 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -61.6 -43.48 98.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.159 0.504 . . . . 0.0 110.761 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 20.5 m -65.96 -34.59 78.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.892 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.47 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.851 0.358 . . . . 0.0 110.556 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.89 -44.3 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 14.8 m -58.02 -46.54 85.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.982 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.33 -41.16 81.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.29 90.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 110.761 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 805' ' ' ILE . 1.2 tp -66.09 -42.56 89.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.753 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -58.15 -37.79 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.38 -51.96 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.718 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.477 HD21 HD11 ' A' ' 840' ' ' ILE . 0.5 OUTLIER -68.72 -37.49 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.361 -176.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 782' ' ' LEU . 3.5 mt . . . . . 0 C--N 1.33 -0.243 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 120.827 0.346 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.459 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.7 OUTLIER -62.96 -42.83 99.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.518 179.138 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.88 -39.94 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.735 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 26.9 m -59.43 -49.72 76.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.44 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 829' ' ' LEU . 5.8 mt -59.19 -50.55 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 806' ' ' LEU . 1.0 OUTLIER -52.82 -48.6 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 178.269 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.5 m -60.08 -46.16 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.199 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.525 HG13 ' HB3' ' A' ' 825' ' ' GLN . 25.2 t -64.39 -47.34 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.588 0.232 . . . . 0.0 111.347 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.2 m -63.42 -40.07 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.472 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -37.75 88.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.937 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 35.4 m-20 -61.06 -42.6 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.428 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.4 mt -63.42 -37.77 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.95 -46.71 88.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.132 0.491 . . . . 0.0 110.309 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 1.5 m -67.22 -49.36 64.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.16 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.7 m -88.81 31.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.696 0.284 . . . . 0.0 111.525 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.406 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 3.7 ttm -68.07 105.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.93 -22.62 5.4 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . 0.513 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 0.4 OUTLIER -84.36 82.89 8.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -50.34 -58.61 5.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.85 95.06 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.82 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 19.1 tp10 -62.8 -43.15 99.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.819 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.428 ' HG2' HG23 ' A' ' 812' ' ' ILE . 13.6 mtp -59.76 -47.12 86.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 23.9 t -62.76 -41.98 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.093 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.903 ' HA ' ' HD3' ' A' ' 827' ' ' ARG . 2.8 tmm_? -55.37 -51.56 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.527 ' HA ' HD12 ' A' ' 828' ' ' ILE . 44.5 mm-40 -65.53 -35.36 80.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.47 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.27 98.99 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.903 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -69.66 -28.62 66.03 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.379 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 825' ' ' GLN . 40.4 mt -70.06 -42.42 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.647 HD11 HG23 ' A' ' 805' ' ' ILE . 15.5 tp -55.82 -47.42 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.587 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -58.16 -38.36 76.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.977 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.85 -49.22 31.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.232 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.58 95.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.288 -176.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.553 ' HA ' HD11 ' A' ' 805' ' ' ILE . 5.5 m -65.97 -33.96 77.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.993 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -63.45 -39.73 95.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.282 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.92 -41.59 91.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.248 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.3 tp -59.29 -52.0 67.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.893 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.554 HG13 ' HB1' ' A' ' 860' ' ' ALA . 89.6 t -64.99 -41.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -61.56 -45.19 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.52 90.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.477 HD11 HD21 ' A' ' 781' ' ' LEU . 6.5 mt -63.8 -49.35 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.846 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.402 ' HB3' HG23 ' A' ' 840' ' ' ILE . 89.5 mt . . . . . 0 N--CA 1.441 -0.912 0 CA-C-O 121.153 0.501 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.2 mt -68.32 -36.55 79.46 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.942 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.7 m -62.21 -47.64 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.227 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.23 93.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.554 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.09 -32.05 73.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -43.75 98.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.25 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.415 HG13 ' H ' ' A' ' 862' ' ' ILE . 1.0 OUTLIER -67.11 -36.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.275 176.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -55.0 -56.37 20.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.541 177.532 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -66.34 -36.02 81.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.721 -177.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.46 -42.71 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.551 . . . . 0.0 110.11 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.28 77.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.938 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -62.5 -44.35 96.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.331 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.66 -37.61 88.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.512 178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.53 -43.89 92.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.251 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -66.26 -49.06 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -35.97 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.6 tt0 -67.6 -40.28 84.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.73 -45.25 65.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.963 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.83 96.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -69.03 -27.08 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.438 . . . . 0.0 110.749 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.46 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.69 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.16 -45.26 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.449 0.166 . . . . 0.0 110.809 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -54.04 -52.11 45.53 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.634 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.14 97.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.21 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.137 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.04 98.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.4 m -62.8 -43.95 97.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.366 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.88 79.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.36 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.7 -50.3 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.878 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.6 m -59.16 -40.38 85.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.74 -39.37 70.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.43 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 110.263 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.8 HD11 ' HA ' ' A' ' 802' ' ' THR . 2.4 tp -61.56 -45.01 95.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.293 176.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -57.44 -43.84 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.86 -54.22 49.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.621 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.558 HD11 HD13 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -60.76 -43.6 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.126 -178.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.138 -178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.557 0.218 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.8 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.9 p -59.09 -46.38 88.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -178.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.51 -44.61 93.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.65 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.6 m -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.61 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 829' ' ' LEU . 4.0 mt -57.25 -53.98 36.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.693 0.282 . . . . 0.0 110.787 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.421 ' HB2' ' CD2' ' A' ' 778' ' ' LEU . 1.5 tt -55.24 -47.72 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.9 m -58.08 -44.61 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.625 HG13 ' HB3' ' A' ' 825' ' ' GLN . 5.2 t -65.15 -48.59 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.0 OUTLIER -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.704 0.287 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.44 -33.83 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.325 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.6 m-20 -61.58 -39.93 92.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.489 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.608 HG23 ' HG2' ' A' ' 822' ' ' MET . 4.4 mt -65.51 -33.78 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -64.82 -47.35 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 176.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.427 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 49.5 m -109.52 34.73 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.778 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.489 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.9 ttm -68.0 97.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.34 0.591 . . . . 0.0 109.7 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.64 -22.87 3.46 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -173.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -88.97 83.62 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 823' ' ' VAL . . . -45.28 -57.85 3.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.946 -1.025 . . . . 0.0 113.278 -173.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 824' ' ' ARG . . . -55.82 -48.27 73.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.754 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 6.1 tp10 -68.38 -40.58 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.538 0.209 . . . . 0.0 110.472 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.608 ' HG2' HG23 ' A' ' 812' ' ' ILE . 7.9 mtp -57.94 -50.32 73.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 875' ' ' LYS . 38.2 t -67.35 -39.48 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.174 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 820' ' ' GLY . 0.4 OUTLIER -55.79 -55.03 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.779 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 828' ' ' ILE . 78.4 mm-40 -61.62 -39.08 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.465 0.478 . . . . 0.0 110.621 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -55.17 -43.04 73.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.176 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 1.7 mtp-105 -62.39 -42.21 99.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.919 0.39 . . . . 0.0 110.581 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 825' ' ' GLN . 9.0 mt -66.76 -40.29 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.448 ' CD1' HG23 ' A' ' 805' ' ' ILE . 13.9 tp -57.54 -48.69 78.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.273 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.504 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.27 -46.71 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -66.7 -40.16 88.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.088 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.94 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.183 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.9 m -64.15 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.144 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.5 m -58.94 -44.36 91.39 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.93 -40.23 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.46 -51.77 67.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.54 HG13 ' HB1' ' A' ' 860' ' ' ALA . 90.3 t -66.79 -41.9 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 -178.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.84 -43.44 94.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.558 HD13 HD11 ' A' ' 781' ' ' LEU . 8.1 mt -62.56 -48.28 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.305 -177.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.344 0.592 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 3.1 mt -75.88 -29.22 58.42 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.212 -0.903 . . . . 0.0 111.621 -175.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 62.9 m -68.16 -39.52 82.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -65.58 -39.74 91.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.414 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.54 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -65.77 -28.93 69.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.938 177.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.45 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.146 176.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 859' ' ' ALA . 8.2 mt -61.32 -44.21 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.045 176.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.494 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -52.07 -51.99 54.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.878 178.279 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.8 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.06 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.51 -38.38 77.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.698 0.285 . . . . 0.0 111.523 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.92 -35.68 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.961 0.41 . . . . 0.0 110.519 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.504 HG21 ' HA ' ' A' ' 830' ' ' ALA . 96.9 m -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.27 93.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.838 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -40.64 68.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.071 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.575 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -69.3 -52.23 29.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.444 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.586 ' O ' ' HB3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -62.95 -34.44 66.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.422 . . . . 0.0 111.021 -178.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.512 ' HA ' ' HE2' ' A' ' 875' ' ' LYS . 46.5 mm-40 -75.93 -33.66 59.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.458 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -78.11 -51.13 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . 0.546 ' HB2' ' HE1' ' A' ' 870' ' ' MET . . . -63.7 -36.31 83.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.621 -175.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.764 ' HA ' HG22 ' A' ' 823' ' ' VAL . 0.3 OUTLIER -79.28 -24.96 42.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.095 0.474 . . . . 0.0 110.358 -177.666 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.559 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.008 178.321 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.551 0 N-CA-C 112.349 -0.3 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . 0.418 ' H ' HG23 ' A' ' 767' ' ' VAL . 1.6 t -60.96 -42.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.531 0.205 . . . . 0.0 111.03 -176.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.17 -51.13 59.34 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.677 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.81 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.53 94.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.432 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 21.3 m -62.74 -36.01 81.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.619 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.42 94.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . 0.418 ' CG2' ' HG3' ' A' ' 870' ' ' MET . 62.8 t -63.47 -44.43 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.489 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . 0.534 HG23 HD21 ' A' ' 806' ' ' LEU . 20.6 m -57.74 -44.34 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.226 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.8 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 110.267 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.44 HD22 ' HG ' ' A' ' 806' ' ' LEU . 0.3 OUTLIER -61.56 -45.66 93.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.124 175.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -56.77 -47.73 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.146 176.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.99 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.162 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -61.74 -44.21 97.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.837 -174.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 782' ' ' LEU . 11.9 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.465 0.174 . . . . 0.0 111.15 -176.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.659 0.266 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -37.22 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.949 0.404 . . . . 0.0 110.581 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.02 -45.06 94.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 5.1 m -60.11 -43.03 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.495 HG23 ' CD1' ' A' ' 829' ' ' LEU . 50.4 mt -61.29 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.534 HD21 HG23 ' A' ' 775' ' ' THR . 0.4 OUTLIER -55.17 -40.54 70.78 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.36 0.412 . . . . 0.0 110.987 -179.471 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 87.8 m -59.17 -41.45 88.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.483 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.6 t -62.94 -46.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -42.97 99.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.126 0.489 . . . . 0.0 110.571 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -37.51 87.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.343 176.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -61.48 -47.44 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.395 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.572 HG23 ' HG2' ' A' ' 822' ' ' MET . 5.1 mt -58.98 -42.87 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.446 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.87 -39.05 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 70.4 m -85.62 1.0 51.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.647 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.3 m -129.03 24.5 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.741 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 mmt -62.34 105.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.477 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.18 -36.2 2.37 Favored Glycine 0 N--CA 1.445 -0.767 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -84.01 85.25 7.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -52.17 -42.18 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.91 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.2 -45.91 93.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.644 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.75 -41.69 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.813 0.34 . . . . 0.0 110.247 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.572 ' HG2' HG23 ' A' ' 812' ' ' ILE . 37.0 mtp -58.67 -51.55 69.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.966 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.36 -36.36 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -53.33 58.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.059 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.635 ' HA ' HD12 ' A' ' 828' ' ' ILE . 48.8 mm-40 -66.61 -41.55 88.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.731 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.16 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.436 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -66.89 -39.52 87.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 110.493 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.5 mt -65.14 -41.23 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' ' 867' ' ' THR . 16.7 tp -57.41 -48.61 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.971 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.402 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -58.55 -40.4 82.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 111.036 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -46.08 62.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.89 -47.0 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.692 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.7 m -66.28 -31.35 72.11 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.466 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.4 m -59.69 -44.6 93.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.98 0.419 . . . . 0.0 110.038 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -65.24 -46.41 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.288 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 28.6 tp -56.66 -52.1 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.334 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.66 HG13 ' HB1' ' A' ' 860' ' ' ALA . 78.8 t -67.55 -40.51 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.162 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -63.38 -38.69 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 110.741 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.21 80.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.766 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.665 HD13 HD11 ' A' ' 781' ' ' LEU . 11.6 mt -62.77 -44.54 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.795 ' HE2' HD22 ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.98 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.5 mt . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.343 0.592 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.795 HD22 ' HE2' ' A' ' 841' ' ' LYS . 2.3 mt -75.82 -23.71 55.8 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.823 -174.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.497 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.1 OUTLIER -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -62.58 -42.12 99.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.176 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.66 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.11 -34.41 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.636 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -43.42 94.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.329 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 859' ' ' ALA . 16.1 mt -59.24 -45.43 93.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.124 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.059 175.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.6 OUTLIER -53.25 -53.2 54.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.657 177.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -67.52 -41.62 84.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -176.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.24 -47.58 73.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.802 HG23 ' HG ' ' A' ' 829' ' ' LEU . 53.8 m -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.84 177.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.37 -42.69 96.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.048 176.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -41.18 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.421 ' HE1' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -61.28 -50.75 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.693 178.33 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -38.55 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.695 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.5 OUTLIER -65.16 -46.65 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 0.0 110.701 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.11 81.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -68.0 -43.09 79.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -35.8 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.639 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.156 177.636 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 112.588 -0.205 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.76 -44.88 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.402 0.144 . . . . 0.0 111.367 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.13 -53.39 42.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.467 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.19 98.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.696 0.284 . . . . 0.0 111.282 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.69 -40.42 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.19 -178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -65.66 -44.63 85.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 8.6 m -60.99 -35.16 76.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.38 90.39 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.677 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.59 -44.63 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.376 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . 0.622 HG23 HD21 ' A' ' 806' ' ' LEU . 2.7 m -57.68 -47.09 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.938 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.05 -41.39 82.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 802' ' ' THR . 6.8 tp -60.25 -45.09 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.432 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 775' ' ' THR . 1.6 t-20 -57.87 -45.96 85.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.407 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -50.33 74.12 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.963 -178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.573 HD11 HD13 ' A' ' 840' ' ' ILE . 1.1 tp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.252 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.3 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.726 -177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.52 0.2 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.518 HG22 HD11 ' A' ' 778' ' ' LEU . 7.7 p -64.35 -39.48 93.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.101 0.476 . . . . 0.0 110.64 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.2 -46.34 84.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.708 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 22.8 m -59.02 -46.51 88.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.669 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 829' ' ' LEU . 9.6 mt -57.56 -59.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.666 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 775' ' ' THR . 1.5 mt -54.75 -48.44 72.61 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.634 0.584 . . . . 0.0 111.953 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 m -61.05 -39.46 89.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.682 0.277 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.98 -47.22 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.649 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.413 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -62.96 -41.11 99.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.172 0.51 . . . . 0.0 110.374 178.231 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.5 -39.24 83.17 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.468 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -69.86 -37.29 76.05 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.223 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 4.9 mt -60.66 -33.69 55.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.503 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.74 -41.2 96.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.72 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -37.72 64.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.822 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.4 m -93.16 19.57 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.359 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 1.9 ttm -67.08 117.68 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 110.722 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 110.88 -15.55 28.64 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.869 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.7 -22.06 51.02 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.132 0.492 . . . . 0.0 110.693 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 69.11 -60.72 0.45 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.046 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.22 -54.41 38.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.539 -0.363 . . . . 0.0 112.927 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.441 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 1.5 tp10 -62.98 -31.71 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 0.0 110.738 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 44.7 mtp -66.09 -46.73 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.4 -43.35 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.369 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -52.46 65.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.702 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.4 OUTLIER -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.768 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 871' ' ' VAL . . . -59.66 -36.28 76.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.812 0.339 . . . . 0.0 111.301 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -63.06 -38.72 92.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.274 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.4 mt -70.97 -37.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 805' ' ' ILE . 2.1 tp -55.97 -48.94 74.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.229 176.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.44 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.894 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -63.03 -48.1 80.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.276 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.09 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.429 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.3 m -67.13 -32.47 73.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.815 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.2 m -58.12 -41.76 84.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.03 -42.68 69.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.08 -51.95 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.658 HG13 ' HB1' ' A' ' 860' ' ' ALA . 75.5 t -62.34 -41.4 91.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.018 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.02 -43.97 97.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.33 98.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.573 HD13 HD11 ' A' ' 781' ' ' LEU . 8.5 mt -66.81 -45.95 86.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.409 -178.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 2.4 mt -68.76 -40.39 79.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.505 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.6 OUTLIER -64.06 -43.4 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.555 177.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.23 91.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.658 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -67.9 -27.35 66.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.827 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.31 83.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 858' ' ' SER . 3.0 mt -66.52 -38.03 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.6 OUTLIER -57.43 -52.91 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 178.3 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.55 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -51.35 36.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.38 93.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.31 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 829' ' ' LEU . 8.1 m -64.39 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.461 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -68.51 -42.51 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -60.2 -39.64 87.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.707 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.637 ' SD ' HD23 ' A' ' 829' ' ' LEU . 0.0 OUTLIER -65.26 -52.25 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.864 179.014 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.5 HG23 ' HB1' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -63.1 -37.25 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.739 -178.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.1 tm-20 -69.59 -37.42 76.93 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -71.23 -44.33 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.73 98.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -37.91 65.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.871 -178.705 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.08 -44.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.271 . . . . 0.0 110.598 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.18 -50.84 59.61 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.652 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.37 86.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.664 0.232 . . . . 0.0 110.816 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.26 92.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 22.8 m -64.18 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.69 92.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.11 -48.51 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.434 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.8 m -58.64 -41.6 86.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.198 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -68.76 -42.11 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.786 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.62 98.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 0.0 110.296 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 802' ' ' THR . 7.2 tp -65.51 -45.86 81.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.545 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.29 -38.69 80.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -58.68 -52.01 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.707 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.548 HD21 HD11 ' A' ' 840' ' ' ILE . 1.1 tp -72.37 -41.16 66.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.578 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.765 0.317 . . . . 0.0 111.529 -177.022 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.603 0.24 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.541 HG22 HD11 ' A' ' 778' ' ' LEU . 1.0 OUTLIER -63.21 -41.55 99.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -178.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.87 -46.15 88.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.514 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 86.1 m -59.8 -47.05 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.501 HG23 HD11 ' A' ' 829' ' ' LEU . 5.5 mt -57.59 -50.44 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.544 178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.427 ' HG ' HD23 ' A' ' 778' ' ' LEU . 2.9 mt -56.04 -49.3 74.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 57.5 m -58.09 -47.04 84.43 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.111 0.257 . . . . 0.0 110.751 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.755 HG13 ' HB3' ' A' ' 825' ' ' GLN . 12.3 t -62.23 -51.93 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.9 m -63.53 -42.47 98.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.049 0.452 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.91 -28.09 67.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.281 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.9 m-20 -64.42 -44.35 91.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 173.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.63 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.5 mt -64.28 -36.09 76.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.519 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.41 -30.06 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.259 0.552 . . . . 0.0 110.092 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 4.2 m -97.76 5.64 48.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.313 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.1 p -135.26 12.7 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.015 -178.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.587 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 0.4 OUTLIER -64.67 102.16 0.54 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.463 0.649 . . . . 0.0 110.812 -174.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.3 -40.17 1.31 Allowed Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -83.24 108.52 16.52 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.35 97.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.646 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.22 -54.03 37.75 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.352 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.61 -37.41 79.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.939 0.37 . . . . 0.0 110.581 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.616 ' HG2' HG23 ' A' ' 812' ' ' ILE . 10.1 mtp -61.17 -48.45 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.789 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.91 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.079 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.606 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 15.2 ttp180 -55.01 -57.4 11.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.66 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.796 ' HA ' HD12 ' A' ' 828' ' ' ILE . 72.0 mm-40 -61.8 -37.68 85.29 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.813 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.85 -33.62 68.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 111.368 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.606 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 4.4 mtt180 -65.84 -46.84 77.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.045 0.45 . . . . 0.0 110.014 177.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 825' ' ' GLN . 4.3 mt -66.44 -37.32 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.731 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.755 ' HG ' HG23 ' A' ' 867' ' ' THR . 7.2 tp -56.98 -49.04 76.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -61.8 -40.81 96.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.793 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -45.84 84.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.021 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.47 -49.4 69.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.424 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -65.74 -34.47 78.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.43 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.8 m -57.81 -42.37 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.96 0.41 . . . . 0.0 110.364 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.82 -38.11 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 29.5 tp -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.569 HG21 ' HB2' ' A' ' 864' ' ' ALA . 77.4 t -64.68 -40.82 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.558 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.15 -40.73 96.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.42 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.93 -44.32 97.02 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.333 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.548 HD11 HD21 ' A' ' 781' ' ' LEU . 4.7 mt -63.07 -44.95 99.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.48 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 46.9 mt . . . . . 0 N--CA 1.441 -0.895 0 CA-C-O 121.202 0.525 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.26 -33.11 72.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.872 -177.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 15.3 m -67.35 -39.65 85.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.714 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.564 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -70.19 -40.63 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.256 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.04 -33.49 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.06 177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -60.87 -43.18 98.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.407 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.1 mt -64.17 -42.68 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.853 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -51.95 -54.85 24.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.954 178.343 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.02 -47.94 82.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.745 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.93 -45.98 79.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.14 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.39 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.755 HG23 ' HG ' ' A' ' 829' ' ' LEU . 88.4 m -65.21 -36.36 83.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.024 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.422 ' HA ' ' HB ' ' A' ' 871' ' ' VAL . . . -71.64 -32.31 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -63.02 -42.81 99.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.47 75.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 830' ' ' ALA . 2.2 t -54.71 -48.26 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.56 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -40.62 90.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.848 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.17 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.408 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.4 88.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -42.22 83.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.617 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.555 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.406 179.012 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.501 0 N-CA-C 112.612 -0.195 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.9 -39.41 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.472 0.177 . . . . 0.0 111.248 -175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.497 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.83 84.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.54 99.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.416 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.15 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 27.9 m -59.68 -34.7 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.59 81.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 110.708 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.79 -45.58 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.322 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -41.89 81.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 0.0 110.834 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.82 -46.63 71.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.83 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 806' ' ' LEU . 6.4 tp -66.81 -44.1 82.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -59.88 -40.86 90.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 109.842 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.73 -55.92 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.654 176.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 840' ' ' ILE . 1.3 tp -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.587 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 782' ' ' LEU . 3.9 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.192 -178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.535 0.207 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 4.0 p -64.01 -40.71 96.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.73 -43.03 80.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.4 m -59.43 -46.42 88.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.677 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 829' ' ' LEU . 5.5 mt -61.28 -54.75 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 778' ' ' LEU . 1.7 mt -52.04 -49.24 63.83 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.43 0.457 . . . . 0.0 111.118 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.3 m -61.82 -35.85 79.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.2 t -65.82 -47.4 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.565 177.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.79 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.039 0.447 . . . . 0.0 110.4 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -35.95 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.984 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.213 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 822' ' ' MET . 5.4 mt -65.08 -35.33 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.555 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.85 -27.31 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.439 . . . . 0.0 110.411 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -28.64 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.817 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.619 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.7 p -95.96 13.26 27.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.805 -177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.697 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 5.9 ttm -64.33 98.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.257 0.551 . . . . 0.0 110.633 -177.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.64 7.31 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.684 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -14.25 59.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.224 0.535 . . . . 0.0 110.606 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 66.96 -72.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.528 -1.215 . . . . 0.0 112.771 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.18 -53.4 43.01 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.677 -0.297 . . . . 0.0 113.108 -174.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.57 -36.69 79.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.738 ' HG2' HG23 ' A' ' 812' ' ' ILE . 6.6 mtp -59.99 -51.48 69.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.393 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.51 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.501 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -57.71 -55.97 27.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.791 ' HA ' HD12 ' A' ' 828' ' ' ILE . 59.3 mm-40 -64.61 -35.96 82.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.8 79.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.941 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 12.3 mtp-105 -68.03 -39.85 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.283 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.9 mt -65.61 -37.72 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.974 175.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.1 tp -57.75 -49.03 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.057 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.492 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -59.91 -39.3 84.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.816 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -44.61 89.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.089 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -68.83 -50.23 51.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.638 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.515 ' HA ' ' HB3' ' A' ' 836' ' ' LEU . 2.6 m -65.39 -32.09 73.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -176.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.8 m -59.94 -38.19 81.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.181 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -80.16 -36.21 35.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.373 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 840' ' ' ILE . 16.6 tp -61.25 -52.2 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.983 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.633 HG13 ' HB1' ' A' ' 860' ' ' ALA . 60.1 t -62.4 -38.08 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.818 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -65.74 -40.23 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.572 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.733 HD11 HD21 ' A' ' 781' ' ' LEU . 0.8 OUTLIER -65.2 -43.97 95.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.944 175.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.62 179.032 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.442 -0.874 0 CA-C-O 121.26 0.553 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.56 -24.87 56.72 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.61 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -46.3 68.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 110.264 175.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.41 -40.59 97.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.435 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.633 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -66.52 -30.94 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.862 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -63.16 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.414 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.7 mt -72.2 -40.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.082 175.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -53.36 -57.02 12.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.096 178.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.61 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.28 -43.72 98.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -177.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.63 -47.72 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.446 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.44 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.029 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.669 HG23 ' HG ' ' A' ' 829' ' ' LEU . 93.9 m -61.8 -39.29 91.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.234 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.56 -39.68 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.275 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.533 ' HE3' HG21 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -60.94 -49.22 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 177.759 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -37.81 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.8 OUTLIER -67.84 -48.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.17 90.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.69 72.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.886 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.39 77.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.826 -178.456 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.4 t -61.09 -42.99 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 -176.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.67 -56.45 24.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.579 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 111.207 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -64.64 -43.5 93.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.96 95.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.857 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 38.0 m -60.39 -43.1 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.555 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -57.44 -44.86 85.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.196 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.74 -48.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.86 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.6 m -59.41 -38.29 80.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -67.54 -47.02 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . 0.434 ' HB1' HD22 ' A' ' 863' ' ' LEU . . . -61.39 -45.43 94.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 802' ' ' THR . 7.2 tp -63.96 -43.16 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.25 -44.76 96.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -51.35 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.495 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.694 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.205 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.705 179.468 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 805' ' ' ILE . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.572 ' HA ' HD11 ' A' ' 778' ' ' LEU . 15.5 p -63.95 -42.98 97.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -178.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.85 -46.44 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.959 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 27.6 m -59.0 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.591 HG23 HD11 ' A' ' 829' ' ' LEU . 3.3 mt -57.1 -57.38 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.823 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -47.08 74.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.28 0.362 . . . . 0.0 111.513 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 13.6 m -59.41 -34.62 72.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.719 0.295 . . . . 0.0 110.845 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.65 HG11 ' HB2' ' A' ' 829' ' ' LEU . 40.2 t -74.37 -46.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.174 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.144 0.497 . . . . 0.0 110.022 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -37.09 85.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.834 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.05 -47.51 86.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.644 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.4 mt -66.1 -36.94 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.664 0.268 . . . . 0.0 110.822 -178.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.45 -30.75 68.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.154 0.502 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 2.8 m -88.11 -34.86 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.077 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . 0.644 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 19.5 p -83.48 -2.25 55.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.595 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 mtt -47.31 108.21 0.14 Allowed 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.618 0.574 . . . . 0.0 110.585 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.37 -44.73 1.18 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 821' ' ' GLU . 37.7 t70 -87.59 95.53 10.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.71 72.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.439 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.62 -55.52 28.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.669 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.481 ' HB2' ' OD2' ' A' ' 818' ' ' ASP . 6.7 tp10 -64.69 -42.31 95.42 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.651 0.263 . . . . 0.0 110.885 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 15.2 mtp -56.69 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.007 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 875' ' ' LYS . 80.8 t -69.27 -41.35 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 0.0 110.491 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.466 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.3 OUTLIER -58.24 -54.3 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.96 ' HA ' HD12 ' A' ' 828' ' ' ILE . 48.2 mm-40 -64.59 -33.63 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.49 -38.34 74.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.197 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.424 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 20.3 mtt-85 -68.0 -38.64 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.284 0.564 . . . . 0.0 110.194 178.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.96 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.2 mt -63.81 -37.91 80.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.921 176.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.65 ' HB2' HG11 ' A' ' 808' ' ' VAL . 3.8 tp -61.12 -49.05 78.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.167 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.28 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.284 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.16 -43.43 98.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.041 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.88 -50.04 70.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 1.8 m -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.613 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.8 m -61.56 -38.55 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.529 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -77.11 -39.65 48.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.454 HD22 HD13 ' A' ' 805' ' ' ILE . 15.2 tp -59.94 -52.1 66.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 864' ' ' ALA . 48.1 t -62.5 -43.66 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -63.69 -35.87 81.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.072 -178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.43 75.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 781' ' ' LEU . 3.1 mt -67.98 -36.79 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.917 ' HE2' HD22 ' A' ' 857' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.687 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 856' ' ' LEU . 11.0 mt . . . . . 0 N--CA 1.449 -0.509 0 CA-C-O 121.427 0.632 . . . . 0.0 111.912 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.917 HD22 ' HE2' ' A' ' 841' ' ' LYS . 3.0 mt -76.05 -29.28 57.97 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.835 -175.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.459 ' O ' HG13 ' A' ' 862' ' ' ILE . 13.2 m -72.53 -31.95 65.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 174.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -69.44 -44.05 72.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.882 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.504 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.33 -32.2 72.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.47 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -40.06 87.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.407 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 859' ' ' ALA . 1.7 mt -73.38 -36.83 49.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.366 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -52.19 -56.49 14.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.713 178.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -68.49 -40.95 80.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.6 -52.44 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.097 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.52 81.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 829' ' ' LEU . 43.9 m -68.66 -34.25 75.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.246 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.89 79.98 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.193 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -40.48 94.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 829' ' ' LEU . 0.0 OUTLIER -62.59 -52.28 64.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.032 178.092 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -35.4 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.65 -42.38 64.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.43 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.85 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.571 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.245 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 823' ' ' VAL . 11.7 mtmt -69.96 -39.62 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.586 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.78 -178.709 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . 0.437 ' H ' HG23 ' A' ' 767' ' ' VAL . 1.3 t -63.37 -44.56 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.577 0.227 . . . . 0.0 111.109 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.45 -49.66 67.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.42 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.95 90.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.5 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . 0.581 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -63.85 -42.33 97.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 9.8 m -65.28 -33.89 77.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 32.6 t -66.66 -46.38 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 0.0 110.358 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . 0.68 HG23 HD21 ' A' ' 806' ' ' LEU . 21.7 m -56.05 -40.93 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.115 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -74.07 -42.47 60.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.5 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.514 HD13 HG21 ' A' ' 805' ' ' ILE . 2.5 tp -62.67 -39.14 92.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.748 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.88 -51.77 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.016 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.539 HD21 HD11 ' A' ' 840' ' ' ILE . 1.8 tp -64.04 -40.67 96.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.439 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.73 -176.429 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.785 0.326 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.476 HG22 HD11 ' A' ' 778' ' ' LEU . 4.8 p -63.6 -39.78 95.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.11 -41.26 99.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.421 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 808' ' ' VAL . 24.5 m -59.07 -44.93 91.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 177.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 778' ' ' LEU . 5.2 mt -58.27 -53.21 49.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.351 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.68 HD21 HG23 ' A' ' 775' ' ' THR . 2.4 mt -56.46 -40.04 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 16.6 m -64.8 -34.23 77.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.712 0.291 . . . . 0.0 110.733 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 829' ' ' LEU . 46.4 t -71.67 -50.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.052 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . 0.581 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -60.07 -42.74 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.426 . . . . 0.0 110.533 177.501 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.03 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.305 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . 0.446 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 0.9 OUTLIER -58.4 -50.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.277 176.64 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.523 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.2 mt -59.04 -36.35 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.377 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.698 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.6 m -78.13 -38.29 44.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.023 0.44 . . . . 0.0 110.92 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.5 m -93.37 28.6 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.19 95.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 138.54 -18.94 3.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.79 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.3 89.99 4.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 174.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.92 71.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.691 -174.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -64.03 -50.54 59.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.317 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.58 -37.45 87.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.55 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.523 ' HG2' HG23 ' A' ' 812' ' ' ILE . 32.6 mtp -63.05 -48.78 77.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 178.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 875' ' ' LYS . 30.4 t -59.45 -45.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.366 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -47.31 86.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.736 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.0 OUTLIER -61.23 -46.85 88.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.101 179.097 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.15 -31.13 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.357 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -71.57 -34.93 70.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.874 0.368 . . . . 0.0 110.351 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 825' ' ' GLN . 8.1 mt -65.79 -40.48 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 173.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.687 ' HB2' HG11 ' A' ' 808' ' ' VAL . 8.7 tp -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.289 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.551 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.66 -44.92 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.14 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -63.63 -44.98 92.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.95 -49.59 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.64 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.4 m -65.21 -36.92 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.8 m -57.92 -38.4 75.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.479 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.56 -46.95 62.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.277 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 840' ' ' ILE . 31.4 tp -56.02 -51.9 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.372 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.615 HG13 ' HB1' ' A' ' 860' ' ' ALA . 78.6 t -59.94 -37.56 72.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.435 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -66.02 -39.23 90.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.27 86.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.865 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.539 HD11 HD21 ' A' ' 781' ' ' LEU . 3.6 mt -65.74 -38.92 83.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.402 HD22 HG23 ' A' ' 840' ' ' ILE . 5.2 mt . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.325 0.583 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -23.75 56.23 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.278 -176.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.486 ' O ' HG13 ' A' ' 862' ' ' ILE . 29.5 m -68.37 -46.19 70.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.87 -42.31 97.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.615 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -60.86 -36.5 79.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 177.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.26 99.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.386 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 859' ' ' ALA . 14.9 mt -62.61 -42.66 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.413 177.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.5 OUTLIER -53.13 -50.26 64.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.409 178.249 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.72 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.653 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.96 -46.65 86.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.986 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.02 81.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.616 HG23 ' HG ' ' A' ' 829' ' ' LEU . 89.4 m -67.44 -39.36 85.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.28 -42.3 96.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -58.32 -43.41 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.22 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -49.01 75.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.081 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -37.99 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -68.9 -41.71 77.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.669 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.82 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.114 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.064 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.474 ' HG3' HG22 ' A' ' 823' ' ' VAL . 0.4 OUTLIER -71.9 -28.21 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.377 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.472 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.353 179.714 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.8 -45.87 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.359 0.123 . . . . 0.0 111.256 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.43 60.29 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.589 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.55 74.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.767 0.318 . . . . 0.0 111.056 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.96 95.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.305 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -63.41 -46.79 84.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.667 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 24.5 m -61.09 -29.99 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.33 83.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.329 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 68.6 t -71.65 -46.38 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -43.05 78.84 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.719 176.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.08 -49.29 70.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.85 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.11 99.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.458 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 802' ' ' THR . 1.3 tp -61.13 -48.08 83.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.7 -34.45 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.7 -54.67 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.207 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.602 HD11 HD13 ' A' ' 840' ' ' ILE . 1.6 tp -62.22 -40.12 95.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.69 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.625 178.164 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 111.457 0.169 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.606 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.8 p -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.885 0.374 . . . . 0.0 110.297 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -60.07 -50.36 74.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.984 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 62.0 m -59.07 -47.29 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.636 HG23 HD11 ' A' ' 829' ' ' LEU . 22.4 mt -60.31 -55.48 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 0.0 110.679 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.522 ' HG ' HD22 ' A' ' 778' ' ' LEU . 0.3 OUTLIER -55.79 -46.61 77.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.907 -179.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 93.6 m -63.3 -43.47 97.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.403 0.144 . . . . 0.0 111.099 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 825' ' ' GLN . 3.5 t -59.62 -47.34 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.307 . . . . 0.0 110.517 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.4 m -61.6 -41.95 98.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.11 -33.63 75.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.562 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.06 -40.18 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.2 mt -63.82 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.959 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.03 -42.13 93.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.824 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -33.9 52.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.929 -178.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.7 m -93.7 24.41 4.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 ttt -69.91 86.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 109.874 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.99 -30.65 0.44 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -98.58 96.94 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -61.36 -33.7 74.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.371 -176.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -66.43 -49.1 58.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.873 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.86 -36.38 83.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.421 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.526 ' HG2' HG23 ' A' ' 812' ' ' ILE . 31.0 mtp -62.19 -51.38 68.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.757 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.22 -38.87 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 110.481 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . 0.403 ' NH1' HE21 ' A' ' 825' ' ' GLN . 0.4 OUTLIER -54.84 -53.04 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.843 176.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 1.067 ' HA ' HD12 ' A' ' 828' ' ' ILE . 29.8 mm-40 -73.36 -31.86 64.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.0 76.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.412 . . . . 0.0 110.584 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -67.48 -38.42 84.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 1.067 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.1 mt -66.45 -40.65 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 109.721 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.764 ' HG ' HG23 ' A' ' 867' ' ' THR . 14.0 tp -55.93 -48.97 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.601 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.28 82.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.036 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.86 -54.04 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.935 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.61 -40.34 87.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.853 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 837' ' ' VAL . 7.5 m -69.47 -39.46 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.407 -178.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 44.7 m -60.09 -40.37 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.757 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.2 -36.76 77.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.767 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.12 -51.78 59.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.766 HG12 ' HE3' ' A' ' 841' ' ' LYS . 76.6 t -62.53 -42.85 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -61.09 -39.97 91.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.18 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.602 HD13 HD11 ' A' ' 781' ' ' LEU . 12.0 mt -66.54 -41.05 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.681 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . 0.766 ' HE3' HG12 ' A' ' 837' ' ' VAL . 3.1 mtmt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.196 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 5.1 mt . . . . . 0 N--CA 1.447 -0.598 0 CA-C-O 121.417 0.627 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . 0.571 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.9 mt -75.65 -28.69 58.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.476 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . 0.547 ' O ' HG13 ' A' ' 862' ' ' ILE . 67.2 m -59.84 -48.2 82.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.695 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -62.64 -41.32 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.604 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.618 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.69 -36.22 82.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.783 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -65.87 -39.45 90.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' A' ' 859' ' ' ALA . 13.5 mt -63.26 -41.82 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.17 -56.07 19.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 177.552 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.09 -41.29 98.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.549 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.0 -44.1 85.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.62 96.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.764 HG23 ' HG ' ' A' ' 829' ' ' LEU . 59.1 m -65.55 -33.16 75.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.581 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.29 -41.19 94.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 109.98 174.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -38.67 89.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.854 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.409 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -64.7 -48.74 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.961 178.385 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -37.12 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.124 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.04 -37.77 66.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.69 -179.361 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.7 -46.8 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.805 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.1 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.999 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -46.95 59.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.277 -175.633 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.729 -0.148 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.02 -41.4 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.543 0.211 . . . . 0.0 111.035 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -55.59 -52.66 46.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.091 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.78 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.804 0.335 . . . . 0.0 111.003 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.98 97.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.221 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 23.8 m -63.42 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.388 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.26 92.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.807 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 774' ' ' VAL . . . . . 0.539 HG21 ' HG3' ' A' ' 870' ' ' MET . 78.1 t -63.49 -47.51 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.625 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 775' ' ' THR . . . . . 0.401 HG23 HD21 ' A' ' 806' ' ' LEU . 11.8 m -56.46 -41.61 76.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.302 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.7 -42.04 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.295 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.83 97.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 778' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 805' ' ' ILE . 6.3 tp -62.29 -42.94 99.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.28 178.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.43 -35.79 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -45.54 93.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.459 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -70.91 -44.28 66.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.888 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 782' ' ' LEU . . . . . 0.759 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.4 mt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.102 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 801' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 805' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.678 0.275 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 802' ' ' THR . . . . . 0.759 HG21 ' HG ' ' A' ' 782' ' ' LEU . 1.5 p -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.68 -46.09 90.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 47.2 m -59.35 -46.15 89.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.779 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 805' ' ' ILE . . . . . 0.486 HG21 HD13 ' A' ' 778' ' ' LEU . 4.0 mt -64.34 -57.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.042 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 806' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 778' ' ' LEU . 1.8 mt -54.79 -44.03 73.39 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.354 0.409 . . . . 0.0 111.701 -175.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 30.0 m -59.4 -36.17 75.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 808' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 829' ' ' LEU . 8.7 t -73.45 -47.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.975 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.11 99.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.399 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -38.91 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.719 175.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.56 -44.87 93.15 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.956 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 812' ' ' ILE . . . . . 0.459 HG21 ' HE3' ' A' ' 870' ' ' MET . 1.4 mt -58.91 -35.62 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -178.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -66.73 -44.33 81.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -32.54 69.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.59 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -96.21 14.45 24.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.992 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' MET . . . . . 0.403 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 3.5 ttm -59.12 116.94 4.18 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 110.557 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.0 -42.36 1.48 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.88 75.84 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' ALA . . . . . 0.55 ' HA ' ' HB2' ' A' ' 822' ' ' MET . . . -56.92 -29.74 63.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.644 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -61.83 -48.01 86.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.508 178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.7 -39.15 77.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 110.01 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' MET . . . . . 0.55 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 22.7 mtp -56.04 -45.08 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.222 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 819' ' ' ALA . 56.9 t -63.61 -39.88 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.829 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -63.04 -48.16 79.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.054 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' GLN . . . . . 0.647 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.2 OUTLIER -60.74 -43.03 98.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.087 178.536 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.34 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.184 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 827' ' ' ARG . 0.0 OUTLIER -65.7 -40.07 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.009 0.433 . . . . 0.0 110.089 177.237 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.0 mt -65.96 -39.52 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.985 175.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' LEU . . . . . 0.821 ' HG ' HG23 ' A' ' 867' ' ' THR . 14.2 tp -57.29 -48.72 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.504 176.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' ALA . . . . . 0.437 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -57.98 -39.99 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -51.66 57.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.912 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.78 86.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.805 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 -36.28 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -63.35 -34.58 78.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.105 0.478 . . . . 0.0 110.181 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.81 -37.37 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.299 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.17 -51.67 62.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.077 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' VAL . . . . . 0.743 HG13 ' HB1' ' A' ' 860' ' ' ALA . 80.5 t -61.93 -40.02 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.191 -176.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.47 -32.77 74.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 111.119 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.09 -47.66 76.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.326 177.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' ILE . . . . . 0.671 HD13 HD11 ' A' ' 781' ' ' LEU . 4.9 mt -65.93 -33.64 64.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.445 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.67 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 856' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 856' ' ' LEU . 9.0 mt . . . . . 0 N--CA 1.451 -0.412 0 CA-C-O 121.312 0.577 . . . . 0.0 111.52 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.02 -25.06 55.35 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.709 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.8 m -64.58 -45.4 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 859' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -69.04 -38.84 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 860' ' ' ALA . . . . . 0.743 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.34 -35.69 79.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.096 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.07 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.525 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 862' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 859' ' ' ALA . 10.5 mt -64.47 -37.86 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.005 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 863' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -54.27 -55.6 26.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.459 176.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 864' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -66.72 -41.58 87.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.614 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.47 -50.71 66.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.4 75.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 867' ' ' THR . . . . . 0.821 HG23 ' HG ' ' A' ' 829' ' ' LEU . 58.9 m -65.46 -41.4 93.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 177.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.39 80.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.116 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -39.59 93.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.925 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 870' ' ' MET . . . . . 0.539 ' HG3' HG21 ' A' ' 774' ' ' VAL . 0.0 OUTLIER -58.81 -51.59 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.459 176.611 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -39.64 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.923 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.45 -47.56 60.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.63 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.601 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.88 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.973 0.416 . . . . 0.0 110.835 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 875' ' ' LYS . . . . . 0.41 ' HE2' HG13 ' A' ' 823' ' ' VAL . 17.9 mttm -75.62 -28.08 58.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.498 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.941 177.745 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . 0.688 ' N ' ' HG ' ' A' ' 815' ' ' SER . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . 0.835 ' HA ' ' HB2' ' A' ' 818' ' ' ASP . 0.9 OUTLIER -87.51 138.31 31.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.914 0.387 . . . . 0.0 110.836 -178.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -81.5 -100.05 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.77 72.25 0.26 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -106.74 -102.56 0.34 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.012 -174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -113.92 144.38 43.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.973 0.416 . . . . 0.0 111.426 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -113.75 101.63 9.48 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.002 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.7 110.37 3.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.157 0.503 . . . . 0.0 110.972 -178.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . 0.424 ' H ' ' HG2' ' A' ' 759' ' ' GLU . 0.0 OUTLIER -65.33 -36.12 83.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.704 -176.463 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.98 1.79 51.64 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.23 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 71.01 29.1 69.41 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.984 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -29.28 65.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.706 0.253 . . . . 0.0 111.651 179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.5 OUTLIER -60.62 -37.63 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.009 0.433 . . . . 0.0 110.588 178.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . 0.475 HD13 ' HA3' ' A' ' 768' ' ' GLY . 1.5 mm? -90.85 -39.12 12.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.791 0.329 . . . . 0.0 110.449 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 -59.81 -41.33 91.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.183 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -92.91 -66.98 1.09 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.408 178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.32 -46.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.501 0.186 . . . . 0.0 111.501 -174.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 764' ' ' LEU . . . -55.8 -46.4 83.2 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.856 -0.687 . . . . 0.0 112.398 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.28 -44.1 80.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.785 0.326 . . . . 0.0 111.369 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.26 -43.47 94.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.968 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.35 -44.0 96.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.545 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 78.2 m -57.35 -39.88 76.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.159 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.88 77.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.784 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . 0.485 ' HB ' HG21 ' A' ' 809' ' ' THR . 45.9 t -70.23 -48.72 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.821 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.54 -40.12 71.45 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.044 0.45 . . . . 0.0 111.055 178.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -70.05 -51.82 28.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.734 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -57.47 -41.89 81.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.193 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 802' ' ' THR . 1.2 tp -58.86 -48.24 82.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.784 178.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -67.23 -39.22 86.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.562 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -58.44 -53.2 61.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.267 0.556 . . . . 0.0 110.327 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 785' ' ' VAL . 0.6 OUTLIER -65.81 -41.31 92.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.067 -178.556 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.745 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.8 mt -55.56 -54.69 40.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -67.85 -28.88 67.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.807 0.337 . . . . 0.0 110.747 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 77.7 t60 -71.1 -43.72 67.09 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.802 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.466 HG11 ' CE1' ' A' ' 798' ' ' TYR . 78.2 t -73.97 -44.81 50.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.589 0.233 . . . . 0.0 110.622 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -66.35 -8.24 24.15 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.936 -175.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -118.63 12.32 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.921 0.391 . . . . 0.0 110.901 177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 12.3 m-70 -146.07 -165.64 2.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.164 -176.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.708 ' HB3' ' HA2' ' A' ' 796' ' ' GLY . . . 68.73 166.91 0.27 Allowed 'General case' 0 C--O 1.233 0.235 0 O-C-N 124.005 0.816 . . . . 0.0 111.411 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 2.9 m -102.39 113.6 27.07 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.131 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -65.47 90.23 0.12 Allowed Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.004 -0.544 . . . . 0.0 112.714 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -141.85 72.3 1.38 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.155 0.502 . . . . 0.0 109.994 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 94.02 -132.51 11.22 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -76.49 54.58 4.41 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 123.209 2.606 . . . . 0.0 111.783 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -148.86 135.32 19.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.732 -177.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . 0.708 ' HA2' ' HB3' ' A' ' 789' ' ' ALA . . . 107.57 -25.78 20.22 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.479 -177.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -172.03 146.04 1.91 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.987 0.422 . . . . 0.0 111.214 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.466 ' CE1' HG11 ' A' ' 785' ' ' VAL . 0.7 OUTLIER -136.21 58.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 175.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.83 -43.45 85.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.295 -169.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -63.94 -40.94 97.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.081 -178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -63.82 -48.15 77.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.597 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.745 HG21 ' HG ' ' A' ' 782' ' ' LEU . 1.1 p -67.62 -39.98 84.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -59.8 -43.43 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.791 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 48.4 m -63.16 -41.0 99.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.595 HG23 ' CD1' ' A' ' 829' ' ' LEU . 64.4 mt -64.0 -58.56 6.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.323 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.62 -45.31 57.5 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.471 0.482 . . . . 0.0 111.442 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 6.5 m -57.9 -37.97 74.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.929 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.547 HG13 ' HB3' ' A' ' 825' ' ' GLN . 3.9 t -68.78 -49.07 67.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.609 179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.485 HG21 ' HB ' ' A' ' 774' ' ' VAL . 0.3 OUTLIER -60.25 -42.91 96.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.986 0.422 . . . . 0.0 110.869 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -67.45 -31.11 71.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.843 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -64.51 -38.07 89.72 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.1 0.476 . . . . 0.0 110.313 176.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.49 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.9 mt -65.21 -34.62 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.025 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -62.23 -43.15 99.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.318 176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.59 -34.58 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.026 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.688 ' HG ' ' N ' ' A' ' 751' ' ' GLY . 1.2 m -102.17 28.49 5.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.42 -176.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.459 ' HG2' HD12 ' A' ' 763' ' ' LEU . 0.1 OUTLIER -68.67 96.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.781 -179.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 129.8 -9.44 6.07 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.517 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . 0.835 ' HB2' ' HA ' ' A' ' 752' ' ' SER . 24.9 t70 -81.78 -21.23 37.89 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-O 121.167 0.508 . . . . 0.0 110.796 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.0 -65.82 0.24 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.811 -1.086 . . . . 0.0 112.008 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.62 -51.92 55.7 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 121.364 -0.446 . . . . 0.0 112.844 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.15 -32.22 71.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.919 0.39 . . . . 0.0 110.692 178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.49 ' HG2' HG23 ' A' ' 812' ' ' ILE . 45.9 mtp -64.49 -51.44 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.522 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 56.5 t -63.78 -38.42 82.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.718 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.429 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 3.9 tpt180 -57.36 -54.33 48.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.677 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.761 ' HA ' HD12 ' A' ' 828' ' ' ILE . 44.8 mm-40 -64.86 -38.23 90.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.743 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.18 74.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 111.203 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -70.36 -32.55 70.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.942 0.401 . . . . 0.0 110.592 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.761 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.9 mt -72.6 -39.71 61.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.698 ' HG ' HG23 ' A' ' 867' ' ' THR . 9.5 tp -53.41 -48.93 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.681 176.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.424 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.78 -43.48 80.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.28 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -67.04 -47.09 72.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.734 -179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.94 -49.53 74.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.875 -176.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -66.5 -40.18 89.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 50.2 m -62.0 -35.61 79.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.374 . . . . 0.0 110.624 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.71 -41.48 75.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.334 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.75 -51.85 67.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.486 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.673 HG13 ' HB1' ' A' ' 860' ' ' ALA . 79.8 t -59.58 -42.93 89.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.976 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -61.65 -38.48 87.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.074 179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -64.27 -43.89 93.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.633 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.519 HG23 HD22 ' A' ' 856' ' ' LEU . 9.2 mt -62.62 -38.43 81.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.724 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 8.2 tttm -56.73 -39.87 74.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.868 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.05 -40.53 53.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -58.18 -48.58 79.86 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.305 0.574 . . . . 0.0 110.625 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -64.21 -21.17 66.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.237 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.81 -34.64 75.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.966 0.412 . . . . 0.0 110.777 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -120.03 38.15 2.86 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.295 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.437 ' CD ' ' HA ' ' A' ' 789' ' ' ALA . 0.1 OUTLIER -85.67 151.52 23.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.869 0.366 . . . . 0.0 110.57 179.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 6.0 m -83.42 -22.02 32.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.885 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.622 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 8.7 t70 -110.8 103.14 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 175.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.457 ' HA ' ' OG ' ' A' ' 853' ' ' SER . 1.2 mt -73.67 -11.38 60.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.83 -174.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 49.1 tp10 -78.56 -47.17 17.78 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 170.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.622 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 4.3 t30 -59.96 -41.43 91.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.794 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.565 ' HA ' HD12 ' A' ' 856' ' ' LEU . 31.3 p -61.8 -39.8 93.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.221 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.76 -46.52 87.65 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.083 176.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.609 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 12.3 mmtt -55.99 -43.87 78.06 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.543 0.687 . . . . 0.0 110.132 174.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 853' ' ' SER . 10.2 mt -52.44 -49.73 64.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.822 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.78 -22.65 56.2 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.312 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 5.8 m -72.06 -46.22 57.75 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.747 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -66.72 -39.76 88.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.658 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.673 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.34 -32.78 72.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 177.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . 0.54 ' O ' ' HB2' ' A' ' 865' ' ' ASP . 0.0 OUTLIER -62.05 -49.88 74.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.065 176.245 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.747 HD12 ' HA ' ' A' ' 859' ' ' ALA . 3.8 mt -58.98 -39.69 78.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.614 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.23 -57.02 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.771 178.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.497 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -71.4 -38.0 71.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.318 -178.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 861' ' ' LYS . 0.4 OUTLIER -61.73 -45.31 94.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.156 -178.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -70.11 -32.33 70.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.777 178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.698 HG23 ' HG ' ' A' ' 829' ' ' LEU . 79.7 m -65.13 -39.89 93.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.66 -39.84 95.35 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.384 175.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.28 -33.64 74.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.264 177.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -49.0 65.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.599 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -31.38 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.41 0.624 . . . . 0.0 109.877 176.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 27.4 tt0 -66.53 -49.24 67.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.388 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -69.39 -43.14 74.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.592 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.09 79.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.828 0.347 . . . . 0.0 111.238 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 6.5 mtpt -77.09 -41.77 40.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.64 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.99 -35.28 89.19 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.144 -0.55 . . . . 0.0 113.05 -176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -101.66 28.95 5.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.888 0.375 . . . . 0.0 111.249 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -84.26 49.69 1.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.977 179.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 56.56 -105.23 0.26 Allowed 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.084 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -116.21 105.05 51.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -77.4 50.64 3.24 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 123.102 2.535 . . . . 0.0 113.628 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -91.09 79.94 5.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.56 -16.63 13.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.112 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -126.19 43.66 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.721 -177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 53.89 67.47 1.0 Allowed 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.707 0.629 . . . . 0.0 110.499 -178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -80.28 67.41 6.11 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.564 -174.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.58 69.07 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.523 176.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -78.84 144.41 35.05 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.116 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.77 79.02 4.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.111 0.482 . . . . 0.0 110.495 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.14 81.51 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.959 178.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 83.65 2.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.275 0.559 . . . . 0.0 111.592 -175.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -134.27 32.82 3.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.742 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 64.15 -91.56 0.03 OUTLIER 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.372 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -145.91 25.55 1.28 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.422 0.629 . . . . 0.0 109.751 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.637 HG21 ' HB3' ' A' ' 764' ' ' LEU . 0.0 OUTLIER -112.93 93.94 4.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.806 -176.1 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.99 -14.75 17.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.387 176.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -132.32 170.34 15.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.513 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 88.6 102.2 0.98 Allowed Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 121.035 -0.602 . . . . 0.0 111.624 -177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.67 -37.16 80.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.961 0.41 . . . . 0.0 110.597 -178.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.13 -53.9 52.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.599 179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . 0.637 ' HB3' HG21 ' A' ' 758' ' ' THR . 0.8 OUTLIER -73.53 -31.97 63.96 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.569 -176.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -65.78 -49.69 67.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.742 0.306 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -75.98 -58.33 3.77 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.575 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 16.1 t -72.64 -40.63 62.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.601 0.239 . . . . 0.0 111.396 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.91 -47.33 90.79 Favored Glycine 0 CA--C 1.516 0.124 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.587 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.93 86.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -68.78 -40.65 79.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.645 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . 0.436 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -62.77 -46.16 89.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.774 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.9 m -61.35 -29.16 69.73 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.169 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -65.11 -39.91 93.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.822 0.344 . . . . 0.0 110.46 176.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 51.7 t -65.64 -43.26 93.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.333 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . 0.67 HG23 HD11 ' A' ' 806' ' ' LEU . 0.7 OUTLIER -54.55 -45.28 73.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.995 177.285 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -68.94 -44.85 72.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.077 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.43 97.5 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.244 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 806' ' ' LEU . 1.0 OUTLIER -63.4 -45.65 90.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.421 178.241 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -60.7 -41.61 95.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.391 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -58.59 -48.69 80.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.01 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.666 HD21 HD11 ' A' ' 840' ' ' ILE . 1.1 tp -65.68 -45.21 83.72 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.613 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 15.4 mt -59.73 -43.54 94.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.324 . . . . 0.0 110.657 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.9 -42.03 98.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.47 0.652 . . . . 0.0 110.176 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 57.6 t60 -68.33 -44.44 75.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.625 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 781' ' ' LEU . 58.4 t -72.65 -23.62 20.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.333 0.587 . . . . 0.0 110.892 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -66.33 -15.47 63.28 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 121.954 -0.466 . . . . 0.0 111.931 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -123.19 -11.91 7.94 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 55.7 m-70 -140.14 163.63 32.2 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.42 ' HB2' HD11 ' A' ' 856' ' ' LEU . . . 65.28 -84.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 O-C-N 123.347 0.404 . . . . 0.0 110.222 -175.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.805 ' HA ' ' HA ' ' A' ' 795' ' ' ALA . 2.1 m -78.51 84.83 4.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.383 0.611 . . . . 0.0 110.149 175.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 128.84 9.37 3.5 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.472 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -151.45 -53.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.061 0.457 . . . . 0.0 110.518 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -103.66 -128.33 6.3 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.033 -0.604 . . . . 0.0 112.552 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.65 -21.14 29.76 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.889 2.392 . . . . 0.0 112.948 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.805 ' HA ' ' HA ' ' A' ' 790' ' ' THR . . . 58.19 65.1 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.223 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -75.05 158.27 50.91 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -113.77 114.37 26.23 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 117.374 0.587 . . . . 0.0 111.369 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -131.77 29.47 4.46 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.195 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -71.53 -31.88 67.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.067 -178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -77.41 -38.23 50.19 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.043 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.38 94.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.643 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -42.88 95.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.127 177.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -59.08 -44.42 91.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.972 178.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 90.9 m -59.09 -45.35 91.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.526 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.598 HG23 ' CD1' ' A' ' 829' ' ' LEU . 34.6 mt -56.96 -58.0 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.709 177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.67 HD11 HG23 ' A' ' 775' ' ' THR . 8.4 tp -59.95 -33.33 71.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.698 -177.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.8 m -64.59 -42.61 95.48 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.907 0.384 . . . . 0.0 110.213 175.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.637 HG11 ' HB2' ' A' ' 829' ' ' LEU . 19.1 t -64.15 -43.79 97.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.805 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.436 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -62.28 -40.3 95.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.1 0.476 . . . . 0.0 110.264 178.359 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -62.73 -42.27 99.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.371 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.19 -42.26 90.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.507 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.17 -39.2 83.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.663 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.44 -45.37 91.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.065 0.459 . . . . 0.0 110.416 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -45.34 71.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.259 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -88.2 19.98 3.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.7 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.415 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.0 OUTLIER -60.91 105.84 0.51 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.246 0.546 . . . . 0.0 110.055 177.556 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.34 -38.45 1.8 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.682 -0.967 . . . . 0.0 110.682 -175.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -87.72 86.05 7.13 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.478 ' HB1' ' HA ' ' A' ' 878' ' ' ALA . . . -54.67 -37.75 66.11 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.88 -176.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.15 60.63 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.44 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -68.99 -37.22 78.6 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.415 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 23.6 mtp -59.5 -49.98 75.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.713 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 41.1 t -64.9 -39.46 85.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.356 178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -57.67 -52.6 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.535 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.781 ' HA ' HD12 ' A' ' 828' ' ' ILE . 45.3 mm-40 -62.54 -41.68 99.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.699 178.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.84 -33.99 71.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.82 0.343 . . . . 0.0 111.405 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 15.3 mtt180 -66.46 -42.62 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.449 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 825' ' ' GLN . 5.3 mt -66.89 -36.16 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.851 176.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.637 ' HB2' HG11 ' A' ' 808' ' ' VAL . 12.8 tp -57.72 -49.05 77.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.291 175.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.454 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -61.41 -34.25 75.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.072 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 28.8 tp60 -72.62 -49.58 31.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.608 178.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.19 86.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.677 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.429 ' HA ' HD11 ' A' ' 805' ' ' ILE . 6.6 m -64.83 -35.22 80.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.53 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 70.6 m -62.57 -41.22 98.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.873 0.368 . . . . 0.0 110.436 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.64 -38.87 84.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.132 177.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 35.9 tp -62.45 -51.61 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.823 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.7 -41.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -62.25 -44.83 95.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.658 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.11 87.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.892 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.666 HD11 HD21 ' A' ' 781' ' ' LEU . 3.6 mt -69.19 -40.0 79.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.672 178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.437 ' HD3' HD22 ' A' ' 857' ' ' LEU . 0.1 OUTLIER -56.68 -40.38 75.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.995 0.426 . . . . 0.0 110.605 178.441 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.33 -42.32 45.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.292 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -46.89 69.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.698 -175.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.68 -24.59 67.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.629 -176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -30.61 69.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.029 0.443 . . . . 0.0 110.659 179.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -88.05 -5.1 77.42 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.993 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.483 ' HG2' ' ND2' ' A' ' 852' ' ' ASN . 8.5 tp10 -75.4 128.72 35.99 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 178.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.36 -27.76 61.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.66 -177.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -77.06 96.89 4.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.153 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.09 -41.5 98.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.453 -177.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.5 OUTLIER -62.45 -49.67 74.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.428 -179.623 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.483 ' ND2' ' HG2' ' A' ' 847' ' ' GLU . 0.7 OUTLIER -63.8 -35.35 80.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.449 178.258 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 16.2 t -57.58 -47.42 82.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.748 175.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -42.9 95.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 31.9 mmtt -59.93 -41.65 92.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.463 0.649 . . . . 0.0 109.955 176.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 853' ' ' SER . 5.9 mt -59.04 -49.86 76.27 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.494 -177.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.437 HD22 ' HD3' ' A' ' 841' ' ' LYS . 1.1 mt -75.84 -25.85 56.64 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.205 -177.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.454 ' O ' HG13 ' A' ' 862' ' ' ILE . 68.4 m -70.21 -42.25 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.159 174.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.566 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -65.39 -43.29 91.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.516 176.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -60.68 -33.35 72.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.757 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 -33.64 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.605 177.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 859' ' ' ALA . 10.5 mt -71.51 -37.81 65.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 175.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.502 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.76 -53.67 48.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.192 176.597 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.98 -39.48 90.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.031 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -56.55 -56.66 18.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.957 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.9 78.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.941 -178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.575 HG23 ' HG ' ' A' ' 829' ' ' LEU . 85.6 m -64.74 -42.91 94.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.11 -38.24 90.04 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.775 0.321 . . . . 0.0 110.534 177.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -40.6 95.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.791 177.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -48.46 72.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.072 178.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -34.05 67.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.1 mm-40 -75.93 -36.08 59.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.573 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.32 -49.4 60.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.865 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.19 93.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -69.72 -39.76 76.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.962 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.68 -32.89 70.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.447 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -87.74 -0.64 57.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.903 0.382 . . . . 0.0 111.272 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.745 ' HB1' ' HG3' ' A' ' 881' ' ' PRO . . . -70.91 112.81 7.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.939 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -70.54 -70.56 0.29 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.017 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -143.38 84.61 10.05 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 121.605 0.717 . . . . 0.0 109.825 -176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.745 ' HG3' ' HB1' ' A' ' 878' ' ' ALA . 94.8 Cg_endo -104.92 -175.47 0.07 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.961 3.107 . . . . 0.0 112.886 175.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 24.6 t0 73.91 -43.39 0.54 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.802 0.841 . . . . 0.0 113.165 170.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.38 -46.12 87.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.908 -178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 54.0 50.69 16.16 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.427 0.632 . . . . 0.0 109.717 -175.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.29 -145.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.967 -175.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.13 12.82 5.88 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 123.571 0.748 . . . . 0.0 111.165 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -178.66 86.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.807 -178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -95.62 -24.82 16.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.209 0.528 . . . . 0.0 109.903 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.994 179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -72.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.921 0.391 . . . . 0.0 110.581 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -161.74 61.64 0.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.83 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -156.73 110.21 2.64 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 -177.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 60.71 57.22 2.75 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.292 172.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -92.94 72.94 4.79 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -83.77 170.01 14.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.68 -174.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.91 69.91 5.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.579 176.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -84.12 60.69 6.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.871 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -121.63 126.71 49.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.637 177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 160.29 168.73 22.64 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.58 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . 0.433 ' HA ' ' OE1' ' A' ' 762' ' ' GLN . 2.1 tp60 -89.25 49.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.318 0.58 . . . . 0.0 110.051 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.94 -65.0 0.73 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.561 -173.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.77 -22.67 34.21 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.87 -0.332 . . . . 0.0 111.107 -176.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -50.92 26.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.384 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -87.97 -57.0 1.97 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.485 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . 0.457 HG21 ' HE1' ' A' ' 822' ' ' MET . 5.8 t -64.02 -41.27 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.49 0.186 . . . . 0.0 111.18 -176.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -59.06 -47.5 90.49 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.498 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.73 -39.07 87.82 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -69.58 -47.91 61.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.74 93.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.112 0.482 . . . . 0.0 111.049 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 95.5 m -59.4 -40.13 85.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.894 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.12 85.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.11 -47.16 94.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.041 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.4 m -56.89 -43.68 81.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.168 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -78.54 -27.14 45.85 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.302 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -68.57 -42.66 77.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 174.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 802' ' ' THR . 4.4 tp -63.86 -44.24 93.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.271 175.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -57.84 -45.25 86.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.353 176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -58.78 -45.83 88.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.637 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.687 HD11 HD13 ' A' ' 840' ' ' ILE . 1.2 tp -62.39 -49.52 75.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.586 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 786' ' ' LYS . 18.7 mt -57.52 -46.24 84.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.681 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.83 -46.33 87.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.595 177.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.562 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 34.7 t60 -67.04 -44.96 78.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.4 -177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.433 HG22 HD22 ' A' ' 856' ' ' LEU . 90.5 t -68.89 -43.93 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 111.015 -177.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -56.5 -36.61 69.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.747 -176.27 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -105.0 22.95 14.39 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 2.8 m-70 -143.99 -11.14 0.66 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 113.367 0.876 . . . . 0.0 113.367 -177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.715 ' HB1' ' HA ' ' A' ' 795' ' ' ALA . . . -59.13 146.57 38.28 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.422 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.6 HG21 ' HB2' ' A' ' 848' ' ' SER . 1.8 m -108.01 121.15 44.21 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.496 -0.481 . . . . 0.0 112.097 -176.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 64.25 -148.6 51.04 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.484 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -111.36 -0.36 16.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.997 0.427 . . . . 0.0 110.141 176.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -76.94 -87.73 0.35 Allowed Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.01 64.33 5.1 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.589 2.192 . . . . 0.0 111.496 171.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.715 ' HA ' ' HB1' ' A' ' 789' ' ' ALA . . . -125.42 25.56 7.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.562 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -66.53 118.78 11.28 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.799 -0.715 . . . . 0.0 111.578 177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 797' ' ' ARG . 0.0 OUTLIER -89.18 -2.72 58.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.519 0.2 . . . . 0.0 110.819 -178.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.57 ' CE2' HG12 ' A' ' 840' ' ' ILE . 7.1 m-85 52.43 44.87 29.48 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.32 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -63.19 -46.94 84.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.25 -171.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -44.48 95.78 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 121.061 -0.256 . . . . 0.0 110.79 -178.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . 0.456 ' O ' HD12 ' A' ' 805' ' ' ILE . . . -62.56 -50.19 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.9 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.566 ' HA ' HD11 ' A' ' 778' ' ' LEU . 12.8 p -64.0 -38.77 92.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -57.97 -48.2 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.65 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 23.6 m -59.15 -45.82 89.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.97 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 801' ' ' ALA . 2.8 mt -60.58 -52.85 56.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.678 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.71 -52.78 63.62 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.656 -0.247 . . . . 0.0 111.068 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.7 m -58.02 -43.66 86.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 123.313 0.383 . . . . 0.0 110.784 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.495 HG13 ' HB3' ' A' ' 825' ' ' GLN . 2.2 t -65.43 -50.29 73.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.067 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.626 ' HA ' HD12 ' A' ' 812' ' ' ILE . 3.1 m -66.39 -39.19 88.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.774 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -67.13 -29.75 69.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.981 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -68.4 -33.55 74.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.697 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.626 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.0 mt -66.05 -32.36 57.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 0.0 110.574 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -66.13 -29.11 69.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.63 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.84 -36.85 17.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.732 178.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.622 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 25.2 p -77.95 -5.89 52.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.451 -177.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.512 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.0 mtt -50.09 112.38 0.66 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.281 0.562 . . . . 0.0 110.667 178.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.9 -34.9 2.87 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -104.59 95.12 5.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.432 ' HB1' ' CB ' ' A' ' 878' ' ' ALA . . . -57.18 -38.57 73.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.87 -175.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -57.88 -50.37 66.38 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 121.023 -0.608 . . . . 0.0 112.91 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -68.81 -35.97 77.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.858 0.361 . . . . 0.0 110.354 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 24.3 mtp -61.19 -45.73 93.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.297 178.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 54.5 t -64.4 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.149 176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.72 -56.07 20.66 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.454 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.812 ' HA ' HD12 ' A' ' 828' ' ' ILE . 83.7 mm-40 -63.46 -41.17 98.63 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.49 -37.28 72.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.932 0.396 . . . . 0.0 111.005 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 827' ' ' ARG . 8.8 mtp180 -64.72 -43.16 94.3 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.659 177.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 825' ' ' GLN . 5.9 mt -68.25 -33.9 63.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.476 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.634 ' HG ' HG23 ' A' ' 867' ' ' THR . 8.4 tp -57.54 -48.79 78.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.107 176.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.9 83.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.557 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.77 -43.23 89.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.014 179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -67.01 -47.68 70.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.586 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.9 m -64.93 -35.91 82.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 46.2 m -63.89 -27.91 69.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.181 0.515 . . . . 0.0 110.292 177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -80.06 -46.07 17.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.256 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.67 -51.8 68.41 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.289 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . . . . . . . . . 63.8 t -62.81 -40.68 89.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.87 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -67.63 -37.82 83.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.521 -0.308 . . . . 0.0 110.828 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.94 67.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.446 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 781' ' ' LEU . 18.6 mt -64.3 -39.66 86.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.761 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.436 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 21.2 tttt -56.85 -49.24 76.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 178.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -71.22 -37.94 72.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.258 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -40.59 83.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.003 -179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.463 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -69.17 -23.91 63.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -76.58 56.4 1.12 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.442 0.639 . . . . 0.0 110.331 178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 148.42 37.85 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.795 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.52 162.99 18.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 0.0 110.203 -179.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . 0.6 ' HB2' HG21 ' A' ' 790' ' ' THR . 0.7 OUTLIER -91.13 -17.76 25.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 175.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -114.44 97.37 6.27 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.051 170.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.646 ' HA ' ' OG ' ' A' ' 853' ' ' SER . 58.8 mt -77.72 -8.58 58.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.902 0.382 . . . . 0.0 110.81 -175.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.26 -49.21 14.14 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 171.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.617 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 18.2 t30 -59.39 -46.08 89.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.104 178.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.872 ' HA ' HD12 ' A' ' 856' ' ' LEU . 2.9 p -57.89 -40.46 80.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.042 -178.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.439 ' HD3' ' O ' ' A' ' 850' ' ' LEU . 7.8 mtp180 -61.41 -40.02 92.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.913 0.387 . . . . 0.0 110.394 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 0.5 OUTLIER -71.34 -32.79 68.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.056 179.011 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.872 HD12 ' HA ' ' A' ' 853' ' ' SER . 87.6 mt -57.86 -41.71 83.0 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.617 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 7.4 mt -75.41 -29.23 59.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.545 -176.22 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -71.8 -35.62 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.408 . . . . 0.0 110.384 176.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.21 77.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.273 176.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.56 -28.34 69.8 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.923 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.54 -44.48 96.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.536 ' H ' HG13 ' A' ' 862' ' ' ILE . 0.6 OUTLIER -66.37 -36.96 78.63 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.206 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.164 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.7 OUTLIER -54.95 -51.86 64.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.223 177.387 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.8 82.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.299 -178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -61.57 -46.95 87.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.379 -177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.793 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.634 HG23 ' HG ' ' A' ' 829' ' ' LEU . 93.5 m -64.42 -39.98 94.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.865 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.479 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.25 -39.61 95.09 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 120.83 0.348 . . . . 0.0 110.223 176.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -39.68 92.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.31 177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.496 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -64.66 -50.08 68.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.773 178.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.23 -36.56 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.233 178.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 3.7 tt0 -66.64 -45.46 78.94 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.586 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.39 -48.18 68.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.507 -178.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.83 98.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.5 -177.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -74.58 -34.85 62.97 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.59 -45.38 77.43 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.348 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -73.72 -7.61 52.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 111.23 -179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.432 ' CB ' ' HB1' ' A' ' 819' ' ' ALA . . . -86.5 -16.31 37.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.353 -179.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -132.44 -45.86 0.9 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -176.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 881' ' ' PRO . 0.1 OUTLIER -95.13 126.79 45.09 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 120.725 0.297 . . . . 0.0 111.429 -175.049 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 880' ' ' HIS . 4.8 Cg_exo -75.39 166.71 28.18 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 123.144 2.563 . . . . 0.0 111.475 173.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 39.3 t70 -79.56 -19.56 49.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.219 0.533 . . . . 0.0 109.605 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.8 m -48.78 135.32 15.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.084 176.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.5 79.02 9.56 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.081 -174.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.454 ' HB3' ' H ' ' A' ' 886' ' ' GLN . 1.8 tm-20 59.35 -113.59 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.927 179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.454 ' H ' ' HB3' ' A' ' 885' ' ' GLU . 0.4 OUTLIER 60.0 39.25 20.2 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.356 0.598 . . . . 0.0 110.787 -178.269 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.78 33.5 2.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.86 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -87.72 86.48 7.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.756 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.298 -0.858 . . . . 0.0 109.906 177.311 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -36.44 82.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.961 0.41 . . . . 0.0 111.553 -176.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -108.27 3.76 23.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.359 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 2.5 ttt -163.76 114.92 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.108 0.48 . . . . 0.0 111.457 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.47 9.25 10.87 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 174.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 69.95 -67.93 0.22 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.782 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -173.64 -141.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.293 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.71 144.77 31.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 66.79 39.56 3.44 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.607 0.567 . . . . 0.0 110.934 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.3 158.2 19.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.624 178.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 68.82 -163.93 49.75 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.331 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.48 34.38 3.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.799 0.333 . . . . 0.0 110.782 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 763' ' ' LEU . 0.8 OUTLIER -59.52 -64.19 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.975 -178.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 764' ' ' LEU . 0.9 OUTLIER -89.14 -31.77 17.82 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 120.694 -0.403 . . . . 0.0 110.621 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 765' ' ' ARG . 10.1 mtp180 -63.02 -42.44 99.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.008 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -98.22 -66.51 0.88 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.519 -0.848 . . . . 0.0 112.325 -179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . 0.401 HG23 ' H ' ' A' ' 767' ' ' VAL . 2.2 t -61.48 -51.37 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -174.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . 0.41 ' HA3' HD13 ' A' ' 764' ' ' LEU . . . -53.75 -49.66 57.21 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.925 -0.655 . . . . 0.0 112.746 -179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.01 -43.45 82.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.261 . . . . 0.0 111.433 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.39 85.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.131 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.21 99.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.016 0.436 . . . . 0.0 110.657 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 16.9 m -63.54 -37.45 87.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.461 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.46 98.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 87.2 t -62.06 -46.72 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-O 120.85 0.357 . . . . 0.0 110.482 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 8.0 m -57.33 -43.11 83.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.085 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -70.82 -41.85 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.02 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.41 -46.57 89.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.969 0.414 . . . . 0.0 110.809 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 802' ' ' THR . 6.3 tp -63.55 -43.55 96.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.541 178.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -58.62 -43.42 89.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.529 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.99 -52.31 66.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.687 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.525 HD21 HD11 ' A' ' 840' ' ' ILE . 1.5 tp -62.83 -38.18 89.73 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.3 -177.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.9 mt -57.15 -52.42 65.38 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 123.084 0.24 . . . . 0.0 111.48 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . 0.409 ' H ' ' HG3' ' A' ' 783' ' ' GLN . 22.4 mt-30 -62.67 -42.49 99.65 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.243 0.544 . . . . 0.0 110.058 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.456 ' NE2' ' HG ' ' A' ' 856' ' ' LEU . 79.2 t60 -62.62 -48.35 79.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.178 -178.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.469 HG23 ' HG ' ' A' ' 781' ' ' LEU . 18.9 t -65.09 -44.45 95.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.284 -176.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -59.47 -24.66 63.77 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -107.84 -25.07 11.4 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.787 0.327 . . . . 0.0 111.312 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -139.38 109.7 6.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.589 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -164.81 -67.9 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.07 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.13 50.62 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.528 177.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 67.69 50.12 44.75 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -174.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 59.52 -120.31 1.01 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.701 0.4 . . . . 0.0 110.281 -173.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 60.93 -137.86 48.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.334 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -77.5 -8.07 17.05 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.688 2.259 . . . . 0.0 112.023 177.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 56.11 54.85 7.39 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.662 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 55.97 -140.81 41.07 Favored Glycine 0 C--N 1.332 0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.161 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 15.9 ttp-105 -154.81 91.81 1.41 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.255 0.55 . . . . 0.0 110.617 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.507 ' CD1' ' N ' ' A' ' 798' ' ' TYR . 0.0 OUTLIER -110.09 13.02 23.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.442 -176.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -57.63 -50.02 74.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.341 -173.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -71.4 -35.84 71.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.835 0.35 . . . . 0.0 110.67 -176.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.23 -52.03 60.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.775 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.525 ' HA ' HD11 ' A' ' 778' ' ' LEU . 23.2 p -66.49 -38.25 86.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.084 0.468 . . . . 0.0 110.584 -178.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -61.81 -45.54 93.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.991 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 89.4 m -61.33 -47.8 84.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 178.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . . . . . . . . . 5.5 mt -59.87 -56.07 19.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.099 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.19 -52.55 60.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.253 -178.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 20.9 m -57.91 -42.97 85.84 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 123.221 0.326 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.423 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 2.1 t -65.08 -51.62 63.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.18 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.758 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.0 OUTLIER -63.32 -41.33 98.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.031 0.443 . . . . 0.0 110.792 -178.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.427 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 22.1 tp10 -66.44 -29.67 69.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.202 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 27.7 m-20 -64.88 -38.29 90.49 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.581 177.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.1 mt -62.53 -33.34 59.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.655 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . 0.427 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 41.7 m-85 -66.27 -37.4 85.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.016 0.436 . . . . 0.0 110.547 177.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.32 -32.54 55.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -102.48 19.83 18.2 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.391 -176.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.569 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 ttm -64.77 98.86 0.29 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.137 0.494 . . . . 0.0 110.058 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.36 -29.74 2.14 Favored Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -92.23 106.18 18.24 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 174.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -57.93 -47.52 82.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.638 -176.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -65.24 -45.59 90.61 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.569 -175.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.485 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 8.6 tp10 -66.35 -43.08 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.789 0.328 . . . . 0.0 110.492 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.645 ' HG2' HG23 ' A' ' 812' ' ' ILE . 12.5 mtp -61.55 -44.65 96.66 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.789 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 42.2 t -67.18 -38.8 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.192 177.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 17.2 ttp180 -56.42 -54.87 40.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.501 176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.674 ' HA ' HD12 ' A' ' 828' ' ' ILE . 69.9 mm-40 -62.35 -42.19 99.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.462 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.54 70.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.925 0.393 . . . . 0.0 111.027 178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -66.98 -45.69 76.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.678 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.4 mt -65.2 -33.26 62.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.469 177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.622 ' HG ' HG23 ' A' ' 867' ' ' THR . 5.8 tp -60.07 -48.84 80.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.328 176.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.408 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -60.54 -38.27 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.661 179.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -64.99 -49.34 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.83 177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.44 -49.92 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.104 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.0 m -65.17 -31.44 72.62 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 56.2 m -61.31 -40.95 96.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.714 0.292 . . . . 0.0 110.466 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -71.58 -40.67 69.76 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.403 177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 34.5 tp -59.15 -51.73 68.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.677 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.601 HG13 ' HB1' ' A' ' 860' ' ' ALA . 79.3 t -65.84 -36.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.581 -177.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -61.29 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.684 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.7 89.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.587 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.525 HD11 HD21 ' A' ' 781' ' ' LEU . 10.8 mt -61.69 -41.69 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.7 -50.03 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -66.8 -41.63 87.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.97 -45.96 83.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.364 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 847' ' ' GLU . . . -68.01 -33.07 73.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.302 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -65.7 -37.47 86.53 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 176.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -89.01 14.79 59.6 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.62 178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 844' ' ' ALA . 1.7 mm-40 -78.87 171.97 14.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.881 0.372 . . . . 0.0 110.266 177.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.25 -34.5 8.78 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.749 -176.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -97.73 141.9 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.791 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.499 ' O ' ' HD3' ' A' ' 854' ' ' ARG . 0.7 OUTLIER -75.19 -47.81 26.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.972 -178.413 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.38 -46.98 88.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.095 -178.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -59.67 -41.83 91.51 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.652 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 20.5 t -59.78 -50.49 73.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.238 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.499 ' HD3' ' O ' ' A' ' 850' ' ' LEU . 1.6 mtp85 -57.64 -45.54 85.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.617 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.447 ' HB3' ' CE1' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.4 -43.78 71.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.65 0.738 . . . . 0.0 111.031 176.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.514 HD22 HG23 ' A' ' 840' ' ' ILE . 3.5 mt -64.5 -49.77 70.04 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.845 -1.07 . . . . 0.0 111.664 -175.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 2.2 mt -75.72 -25.5 56.66 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.872 -174.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.431 ' O ' HG13 ' A' ' 862' ' ' ILE . 46.5 m -72.0 -41.12 67.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.073 -0.344 . . . . 0.0 110.073 175.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.8 -42.14 97.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.183 176.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.601 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.79 -30.55 71.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.94 176.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -63.23 -45.27 92.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.15 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.2 mt -63.5 -41.98 94.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.119 176.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -53.36 -56.79 13.87 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.914 177.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -64.75 -47.22 78.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.555 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.05 -45.34 89.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.459 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.16 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.323 . . . . 0.0 110.447 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.622 HG23 ' HG ' ' A' ' 829' ' ' LEU . 95.0 m -66.19 -43.6 86.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.881 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.01 -40.56 96.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.836 0.351 . . . . 0.0 110.39 176.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -64.43 -35.04 79.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.195 176.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.483 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -67.58 -48.95 65.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.687 177.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -39.04 82.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.954 0.406 . . . . 0.0 110.244 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.9 OUTLIER -68.6 -37.3 79.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.704 179.692 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -71.2 -51.0 27.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.25 89.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.447 -177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -73.7 -25.6 60.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.047 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -88.43 -13.92 62.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.573 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -122.23 22.44 10.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.075 0.464 . . . . 0.0 110.801 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.547 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -81.97 58.7 4.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.337 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 48.24 -125.4 1.84 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.4 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -128.96 150.9 76.53 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.92 54.52 2.12 Favored 'Trans proline' 0 CA--C 1.534 0.484 0 C-N-CA 122.903 2.402 . . . . 0.0 112.558 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -106.55 12.28 29.65 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.842 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.97 135.13 46.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.177 -0.92 . . . . 0.0 111.302 -176.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.99 87.59 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.13 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.04 121.46 26.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.548 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -139.79 33.25 1.99 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 55.22 -116.31 1.03 Allowed 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.718 -171.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -153.56 47.26 0.66 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.672 0.749 . . . . 0.0 109.658 173.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.189 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.666 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.7 40.17 0.58 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.671 0.272 . . . . 0.0 111.042 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . 0.604 ' O ' ' HB2' ' A' ' 757' ' ' ALA . 0.1 OUTLIER 56.62 74.6 0.39 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.108 -176.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -30.84 70.59 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.188 177.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -108.15 131.03 55.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.036 -179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 60.53 42.77 13.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.765 177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 753' ' ' HIS . . . -77.7 149.51 34.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.983 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.83 -6.66 12.07 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.235 176.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -81.28 56.86 3.01 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.237 -175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -117.43 124.16 48.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.46 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -138.84 -150.5 5.59 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.438 -177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.85 -32.84 5.97 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.802 0.334 . . . . 0.0 110.542 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.623 HD22 ' HB1' ' A' ' 877' ' ' ALA . 0.6 OUTLIER -60.39 -57.66 11.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.489 -176.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.48 -37.31 23.3 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.263 -176.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -66.77 -47.54 71.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.251 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -83.76 -63.37 1.69 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.603 -177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.2 t -66.46 -43.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.51 0.195 . . . . 0.0 111.234 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.07 -48.01 85.55 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.678 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -67.52 -40.11 85.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.719 0.295 . . . . 0.0 111.07 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -67.84 -45.03 75.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.25 82.15 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.799 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 14.8 m -63.85 -32.11 73.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.009 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.56 96.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.461 177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 48.9 t -63.99 -41.09 91.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.3 m -59.26 -48.85 80.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -67.75 -42.06 82.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.022 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 780' ' ' GLU . . . -63.14 -41.14 99.25 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.576 -178.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.771 HD22 ' HG ' ' A' ' 806' ' ' LEU . 1.1 tp -64.49 -45.43 87.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.769 0.319 . . . . 0.0 110.388 178.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -63.47 -33.59 75.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.172 177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 777' ' ' ALA . 10.0 mm-40 -58.93 -53.01 63.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.999 175.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.693 HD11 HD13 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -63.58 -46.99 83.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.16 -178.269 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.4 mt -55.64 -57.69 10.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.711 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -62.4 -29.9 70.82 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.071 0.462 . . . . 0.0 110.717 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.466 ' NE2' ' HA ' ' A' ' 856' ' ' LEU . 1.6 t60 -73.73 -44.13 57.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.886 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 44.2 t -66.17 -38.22 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 111.025 -175.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -31.24 71.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.206 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -98.89 -25.3 14.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.83 0.348 . . . . 0.0 111.745 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -125.5 87.32 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.585 ' HB1' ' H ' ' A' ' 795' ' ' ALA . . . -112.48 179.46 3.98 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.864 -173.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.4 ' CG2' ' HB2' ' A' ' 847' ' ' GLU . 0.5 OUTLIER -127.07 39.48 3.9 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.48 178.702 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -173.83 -163.65 27.66 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.481 -178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -71.27 -36.17 71.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.0 0.428 . . . . 0.0 110.723 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -105.73 -141.19 10.44 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.931 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -87.04 64.49 4.35 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.289 2.659 . . . . 0.0 111.986 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.585 ' H ' ' HB1' ' A' ' 789' ' ' ALA . . . 53.59 53.17 11.93 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.378 179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 78.59 -112.89 3.56 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -169.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.74 140.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.848 0.356 . . . . 0.0 110.385 171.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -131.87 31.67 4.18 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 175.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -57.86 -45.77 85.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.746 -173.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -37.53 83.23 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.33 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . 0.449 ' O ' HD12 ' A' ' 805' ' ' ILE . . . -67.45 -47.17 70.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.224 -178.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.459 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.1 p -61.67 -37.19 83.16 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.261 0.553 . . . . 0.0 110.056 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -61.88 -46.01 91.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.667 177.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 12.0 m -59.25 -45.61 90.72 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.995 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 829' ' ' LEU . 1.4 mt -60.64 -48.36 88.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.252 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.771 ' HG ' HD22 ' A' ' 778' ' ' LEU . 5.4 mt -58.17 -46.23 86.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.887 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.8 m -58.0 -48.34 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.284 . . . . 0.0 110.767 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.412 HG11 ' HB2' ' A' ' 829' ' ' LEU . 17.1 t -62.37 -53.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.396 -178.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.69 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.1 m -61.27 -37.14 82.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.947 0.403 . . . . 0.0 110.861 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 813' ' ' PHE . 5.1 tt0 -68.59 -33.95 74.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.275 178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -64.01 -30.99 72.02 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.763 177.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -69.51 -26.85 32.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.796 0.331 . . . . 0.0 110.602 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . 0.424 ' HD2' ' HA ' ' A' ' 810' ' ' GLU . 51.1 m-85 -70.42 -34.53 72.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.196 0.522 . . . . 0.0 109.865 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -32.2 46.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.857 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.61 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 54.6 p -90.87 -7.44 52.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.568 -176.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.645 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.1 ttt -53.13 114.72 1.56 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.214 0.531 . . . . 0.0 111.054 -177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.26 -25.0 6.44 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.0 -175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -107.79 98.39 7.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.472 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -53.52 -43.76 68.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.976 -176.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.73 -50.89 60.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.127 -0.558 . . . . 0.0 113.344 -177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 5.4 tp10 -70.76 -40.02 72.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.913 0.356 . . . . 0.0 110.914 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.645 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 19.3 mtp -57.72 -44.31 85.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.798 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.74 -40.79 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.805 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.472 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.0 OUTLIER -58.35 -51.78 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.734 179.491 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.817 ' HA ' HD12 ' A' ' 828' ' ' ILE . 74.6 mm-40 -63.02 -41.6 99.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.645 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.13 -37.03 71.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 3.4 mtt-85 -64.26 -43.52 94.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.973 0.416 . . . . 0.0 110.528 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.2 mt -66.65 -38.65 82.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.379 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.658 ' HG ' HG23 ' A' ' 867' ' ' THR . 6.2 tp -57.52 -49.02 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.534 177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -58.05 -38.5 76.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.256 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -71.65 -49.27 41.5 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.662 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -60.83 -48.77 80.29 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.82 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 837' ' ' VAL . 9.4 m -62.58 -38.16 89.03 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -41.09 87.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.953 0.406 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -67.15 -44.61 79.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.587 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.422 HD22 HD13 ' A' ' 805' ' ' ILE . 12.1 tp -60.55 -51.67 68.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.144 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.674 HG13 ' HB1' ' A' ' 860' ' ' ALA . 94.9 t -61.83 -43.16 96.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.932 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -63.57 -38.51 91.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.942 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.01 -49.31 77.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.886 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.693 HD13 HD11 ' A' ' 781' ' ' LEU . 7.2 mt -65.41 -42.38 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.685 178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -58.14 -45.2 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.823 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 845' ' ' GLU . . . -69.51 -33.24 72.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.718 -178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.86 -36.79 62.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.039 0.447 . . . . 0.0 110.382 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.404 ' HB3' HD21 ' A' ' 857' ' ' LEU . . . -68.78 -19.38 64.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.672 176.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 842' ' ' ALA . 25.1 mt-10 -70.74 94.41 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 174.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 94.34 58.56 1.21 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -172.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.4 ' HB2' ' CG2' ' A' ' 790' ' ' THR . 2.0 pm0 -90.79 162.55 14.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.163 -0.518 . . . . 0.0 111.612 -171.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -70.16 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.27 175.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -113.7 135.43 53.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.094 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -13.24 61.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -173.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.654 ' O ' ' HD2' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -69.68 -37.54 76.68 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 176.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.569 ' N ' ' HG3' ' A' ' 851' ' ' GLU . 69.9 m-20 -70.59 -46.61 63.13 Favored 'General case' 0 CA--C 1.513 -0.472 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.036 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.642 ' HA ' HD12 ' A' ' 856' ' ' LEU . 56.3 p -59.4 -45.28 91.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.631 -173.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -59.34 -44.79 92.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.614 0.245 . . . . 0.0 110.859 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.654 ' HD2' ' O ' ' A' ' 851' ' ' GLU . 6.0 mttp -65.42 -38.96 91.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.422 0.629 . . . . 0.0 109.956 175.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.642 HD12 ' HA ' ' A' ' 853' ' ' SER . 15.8 mt -58.92 -49.92 76.0 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.396 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.404 HD21 ' HB3' ' A' ' 844' ' ' ALA . 4.3 mt -75.77 -26.22 57.17 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 114.661 -1.154 . . . . 0.0 112.02 -176.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 862' ' ' ILE . 42.5 m -75.12 -41.53 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.321 . . . . 0.0 110.423 177.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.445 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -64.77 -42.43 95.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.512 177.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.674 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.78 -32.11 73.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.628 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 14.6 tttm -63.66 -41.14 98.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.693 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 859' ' ' ALA . 9.4 mt -64.42 -37.66 80.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.224 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.488 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.5 OUTLIER -53.87 -54.57 36.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.467 177.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.15 -42.54 79.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.222 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -58.71 -46.39 87.42 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.197 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.96 75.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.796 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.658 HG23 ' HG ' ' A' ' 829' ' ' LEU . 77.9 m -65.53 -39.11 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.605 -0.271 . . . . 0.0 111.203 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.58 -42.17 98.32 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.163 176.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -35.6 81.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.21 177.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.545 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -63.99 -49.37 72.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.491 176.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.429 HG22 ' HE3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -65.12 -33.51 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.053 0.454 . . . . 0.0 110.474 178.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.54 -44.96 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.531 178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.91 -46.33 68.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.307 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.34 87.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.429 ' HE3' HG22 ' A' ' 871' ' ' VAL . 30.7 mttt -73.06 -37.63 66.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.943 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.49 -33.16 71.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.39 -178.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.623 ' HB1' HD22 ' A' ' 763' ' ' LEU . . . -90.46 2.66 55.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.975 0.417 . . . . 0.0 110.879 178.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.472 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -93.19 2.14 56.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -119.1 127.03 52.99 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.556 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.85 98.0 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.343 0 O-C-N 123.864 0.728 . . . . 0.0 111.672 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -74.93 80.97 2.29 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.911 2.408 . . . . 0.0 111.408 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -92.71 -17.51 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.216 0.531 . . . . 0.0 110.197 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.05 160.76 30.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.555 -176.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.87 114.55 7.29 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 173.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.98 3.37 46.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.137 -174.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -104.48 162.14 13.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.105 0.478 . . . . 0.0 110.504 -179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -85.69 55.08 3.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.649 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.15 37.3 1.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.585 -178.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.347 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -45.97 72.32 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.971 0.415 . . . . 0.0 110.788 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -115.8 -26.23 7.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.994 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.11 127.14 31.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.003 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . 0.537 HE21 ' HB2' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -77.43 -175.7 3.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.076 -178.717 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -123.09 123.5 40.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.207 178.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -101.6 143.18 31.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.796 -177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.32 124.04 26.88 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.554 177.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.83 168.32 9.51 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.714 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -132.38 -4.41 3.39 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.539 0.685 . . . . 0.0 109.721 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 89.58 43.36 5.21 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -176.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . 0.614 ' HB2' ' H ' ' A' ' 766' ' ' GLY . 8.8 pt20 -78.32 61.04 2.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.304 0.574 . . . . 0.0 111.323 -176.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.447 HD22 ' HB1' ' A' ' 877' ' ' ALA . 0.5 OUTLIER -62.55 -51.85 65.76 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.749 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.52 -22.59 21.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.201 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.555 ' HB3' ' HB2' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -78.63 -66.64 0.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.183 -178.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . 0.614 ' H ' ' HB2' ' A' ' 762' ' ' GLN . . . -69.48 -56.93 7.88 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.31 -176.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 3.3 t -60.93 -40.54 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.527 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -61.36 -50.55 65.59 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.4 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.89 -44.61 95.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.859 0.361 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . 0.579 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -65.25 -47.94 75.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.364 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -61.44 -42.39 98.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.954 0.407 . . . . 0.0 110.811 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 50.3 m -62.66 -40.61 97.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.445 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.36 95.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.45 -49.94 75.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.673 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.9 m -58.44 -40.06 81.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.902 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -70.6 -45.95 64.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.59 96.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.11 0.481 . . . . 0.0 110.671 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.707 HD11 ' HA ' ' A' ' 802' ' ' THR . 5.0 tp -63.16 -44.31 95.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.426 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -63.1 -37.64 88.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.425 178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.95 -47.29 85.61 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.25 0.548 . . . . 0.0 110.358 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -67.63 -39.12 84.66 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.404 177.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 782' ' ' LEU . 8.4 mt -56.0 -53.9 51.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.472 -178.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -59.18 -44.42 92.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.252 0.548 . . . . 0.0 110.192 179.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.566 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 58.6 t60 -64.21 -46.66 82.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.389 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.409 HG23 ' HG ' ' A' ' 781' ' ' LEU . 42.2 t -66.22 -44.32 91.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.61 0.243 . . . . 0.0 111.208 -177.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 12.9 mttm -55.56 -36.49 66.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.975 -176.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -109.35 8.24 25.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -175.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 84.1 m-70 -142.37 61.94 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.739 0.304 . . . . 0.0 110.874 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -133.31 111.95 11.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.243 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.7 165.72 17.43 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.594 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 77.11 -99.71 1.44 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.794 174.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -78.56 59.66 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.457 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . 95.37 129.65 5.9 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.029 -0.605 . . . . 0.0 113.248 174.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.457 ' HD3' ' HA2' ' A' ' 793' ' ' GLY . 10.3 Cg_exo -71.24 -19.21 29.66 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.992 2.461 . . . . 0.0 111.533 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -160.19 -167.42 1.93 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.417 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 63.41 29.59 75.02 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.115 -177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.455 ' HB3' ' CE1' ' A' ' 798' ' ' TYR . 2.8 mtp180 -99.22 -54.06 3.07 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.455 ' CE1' ' HB3' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -135.35 24.32 3.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.039 0.447 . . . . 0.0 109.797 179.651 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -64.87 -33.99 77.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.849 -173.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.82 -39.45 51.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.484 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -62.03 -48.02 82.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.116 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.707 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -61.33 -41.21 96.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.201 0.524 . . . . 0.0 110.565 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.03 -50.29 74.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.891 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.0 m -61.16 -48.14 82.95 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.499 -178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.509 HG23 HD11 ' A' ' 829' ' ' LEU . 6.5 mt -58.54 -51.41 72.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.589 0.233 . . . . 0.0 111.05 -178.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.49 -51.4 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.9 m -61.2 -42.2 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.403 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 12.2 t -62.23 -52.16 63.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.74 0.305 . . . . 0.0 110.987 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.719 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.2 m -63.02 -39.45 94.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.641 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -40.36 86.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.294 176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -63.45 -37.84 88.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 809' ' ' THR . 5.2 mt -61.06 -38.39 79.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 110.408 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -62.54 -44.77 95.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.74 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.84 -28.9 64.93 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.543 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -103.98 22.66 14.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.334 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.417 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.9 ttm -63.09 102.37 0.37 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.085 0.469 . . . . 0.0 110.116 178.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 136.27 -33.41 2.37 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -176.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -87.76 87.33 7.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -53.35 -42.86 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.896 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.95 -44.7 96.92 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.97 -0.633 . . . . 0.0 112.578 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -73.04 -40.95 64.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.912 0.386 . . . . 0.0 110.545 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.417 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 22.8 mtp -59.07 -46.99 86.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.593 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.11 -41.24 92.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.362 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.47 -54.74 40.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.54 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.666 ' HA ' HD12 ' A' ' 828' ' ' ILE . 56.4 mm-40 -63.84 -40.54 96.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.662 -179.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.54 -40.81 88.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -62.82 -39.2 93.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.396 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 825' ' ' GLN . 16.7 mt -67.5 -42.97 87.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.276 176.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.603 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.9 tp -54.76 -48.82 72.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.149 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.85 71.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.88 -43.79 78.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.5 90.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.634 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 14.9 m -66.54 -36.28 82.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.575 0.226 . . . . 0.0 111.32 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 48.3 m -59.62 -38.2 80.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.11 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -42.78 78.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.32 177.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.471 HD23 ' HG ' ' A' ' 863' ' ' LEU . 24.9 tp -61.16 -52.16 66.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.853 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.489 HG13 ' HB1' ' A' ' 860' ' ' ALA . 87.8 t -63.61 -43.66 98.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.032 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -61.57 -43.4 98.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.736 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -57.88 -51.53 69.23 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.547 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.561 HD13 HD11 ' A' ' 781' ' ' LEU . 47.8 mt -61.68 -45.7 98.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.167 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.527 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER -54.9 -49.95 69.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 -179.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.07 -40.28 68.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.403 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -73.0 -45.7 56.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.731 -176.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.624 ' HB1' ' HB3' ' A' ' 853' ' ' SER . . . -64.79 -28.43 69.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.604 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -67.04 -18.08 65.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.899 0.381 . . . . 0.0 110.909 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -107.46 -0.75 35.01 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.931 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.13 133.73 48.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.02 0.438 . . . . 0.0 110.306 -178.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -44.2 90.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.084 -0.962 . . . . 0.0 111.517 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 852' ' ' ASN . 4.3 t70 -86.25 100.37 12.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.515 -178.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 850' ' ' LEU . 1.4 mm? -68.59 -25.88 65.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.501 -174.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.414 ' O ' ' HD2' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -64.26 -40.65 96.42 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.475 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.589 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 74.8 m-20 -58.69 -55.94 28.65 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.915 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.804 ' HA ' HD12 ' A' ' 856' ' ' LEU . 0.5 OUTLIER -57.52 -45.54 84.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.397 -0.82 . . . . 0.0 112.103 -175.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.34 -38.99 69.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 110.67 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.414 ' HD2' ' O ' ' A' ' 851' ' ' GLU . 3.5 mttt -77.25 -37.69 52.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.093 177.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 853' ' ' SER . 76.0 mt -58.52 -49.73 76.32 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 121.121 0.486 . . . . 0.0 111.119 -177.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.5 mt -69.62 -30.26 67.95 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.996 -176.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 49.1 m -72.04 -42.51 66.23 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.59 176.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.539 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.69 -39.29 93.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.369 176.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.489 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.91 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.43 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.247 176.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.539 HD12 ' HA ' ' A' ' 859' ' ' ALA . 6.4 mt -68.15 -42.17 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.816 175.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.501 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -52.48 -54.62 29.99 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.666 177.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.22 -44.49 91.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.554 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -62.15 -43.86 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 111.221 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.8 75.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.123 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.603 HG23 ' HG ' ' A' ' 829' ' ' LEU . 91.6 m -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.347 -178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.76 -44.1 94.48 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -59.23 -41.89 89.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.971 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.579 ' HA ' ' HB1' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -61.71 -50.91 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.91 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -36.82 78.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.642 -178.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.73 -39.7 69.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.628 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.16 -48.53 67.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.093 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.29 -45.54 94.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.236 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -69.59 -37.98 77.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.71 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.31 -34.67 88.66 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.462 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.447 ' HB1' HD22 ' A' ' 763' ' ' LEU . . . -82.96 -6.14 59.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 0.0 110.73 179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -100.2 52.59 0.9 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.951 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -88.22 -42.54 12.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . 0.672 ' HD2' ' HB2' ' A' ' 882' ' ' ASP . 3.9 p-80 -157.69 142.59 12.06 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.419 175.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 880' ' ' HIS . 7.3 Cg_exo -73.01 67.5 4.06 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 123.159 2.573 . . . . 0.0 112.222 -178.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.672 ' HB2' ' HD2' ' A' ' 880' ' ' HIS . 3.0 t0 -90.56 50.26 1.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.414 0.626 . . . . 0.0 110.421 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 884' ' ' GLU . 0.1 OUTLIER -89.89 -155.3 0.36 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.584 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' A' ' 883' ' ' SER . 1.7 mp0 75.92 -70.97 0.13 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.538 0.735 . . . . 0.0 111.734 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.456 ' HB3' ' H ' ' A' ' 886' ' ' GLN . 4.3 tm-20 57.2 -103.31 0.18 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.917 0.389 . . . . 0.0 110.08 -174.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.456 ' H ' ' HB3' ' A' ' 885' ' ' GLU . 2.1 tt0 -155.58 -65.67 0.12 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.549 175.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -179.83 104.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.997 178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -72.58 -34.17 67.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.18 0.514 . . . . 0.0 109.714 178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 889' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 117.958 -1.02 . . . . 0.0 109.236 177.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.69 134.48 54.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 0.0 110.636 -177.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -139.21 54.21 1.72 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.23 0.538 . . . . 0.0 110.024 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 7.7 ttt -148.08 85.07 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.088 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -96.74 -161.21 0.85 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.458 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -67.52 -40.57 85.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.123 0.487 . . . . 0.0 110.152 178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -86.09 75.52 9.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.998 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.7 -42.33 98.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.199 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.2 159.73 28.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.438 179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -128.97 133.64 47.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.459 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 150.51 -147.5 17.67 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.772 -0.728 . . . . 0.0 111.624 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -39.89 69.32 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.369 0.268 . . . . 0.0 111.436 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.69 HD12 ' HG2' ' A' ' 816' ' ' MET . 1.0 OUTLIER -63.64 -41.99 98.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.979 0.419 . . . . 0.0 111.118 -177.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 6.9 tp -85.41 -17.47 36.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.942 0.401 . . . . 0.0 110.813 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.48 -48.09 81.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.314 178.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -98.2 -65.4 0.87 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.029 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 5.1 t -57.23 -49.22 80.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.561 0.219 . . . . 0.0 111.335 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.86 -48.89 75.0 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.732 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.81 80.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.667 0.27 . . . . 0.0 111.196 -179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -65.07 -41.64 94.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.291 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.72 95.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.095 0.474 . . . . 0.0 110.608 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 13.4 m -64.84 -38.37 90.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.599 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.1 93.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.935 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.33 -46.91 91.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.867 0.365 . . . . 0.0 110.426 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.4 m -58.33 -40.79 83.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.928 178.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -44.78 63.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.013 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.48 89.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.604 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.611 HD11 ' HA ' ' A' ' 802' ' ' THR . 5.4 tp -64.14 -48.33 76.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.516 177.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . 0.518 ' O ' ' HG3' ' A' ' 783' ' ' GLN . 7.4 m-80 -60.13 -40.56 90.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.181 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -58.62 -55.42 35.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.478 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.48 ' O ' HG23 ' A' ' 785' ' ' VAL . 0.8 OUTLIER -61.64 -43.61 98.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.092 -177.778 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.586 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.7 mt -51.79 -56.65 12.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.506 -177.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 779' ' ' ASN . 31.0 mt-30 -61.78 -38.95 89.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.765 -178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -66.08 -43.3 87.74 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.19 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.485 HG12 ' HD2' ' A' ' 797' ' ' ARG . 71.1 t -73.31 -38.8 54.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.921 -178.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.1 -16.94 63.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.577 -177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -99.63 3.44 45.23 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 110.846 178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.429 ' HB3' ' H ' ' A' ' 789' ' ' ALA . 75.3 m-70 -147.62 -132.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.429 ' H ' ' HB3' ' A' ' 788' ' ' HIS . . . 73.69 171.98 0.3 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.326 0.65 . . . . 0.0 112.499 172.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.455 HG21 ' HA ' ' A' ' 847' ' ' GLU . 0.0 OUTLIER -122.29 61.96 0.97 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.216 177.265 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -94.82 151.91 20.29 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.174 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -79.67 -26.3 41.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.157 0.503 . . . . 0.0 109.789 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -99.84 172.37 24.65 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.269 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.82 85.08 1.53 Allowed 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 123.145 2.563 . . . . 0.0 111.367 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.542 ' O ' ' HD3' ' A' ' 797' ' ' ARG . . . 66.03 20.95 11.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.545 -178.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -85.36 85.06 1.57 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 173.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 795' ' ' ALA . 0.0 OUTLIER -104.51 -76.44 0.6 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.667 0.27 . . . . 0.0 111.475 -171.098 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -136.86 52.13 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -173.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -40.19 77.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.266 -174.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -66.39 -44.32 83.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.806 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -61.33 -50.81 71.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.611 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.7 OUTLIER -63.34 -42.33 98.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 -177.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -59.74 -48.09 83.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.787 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 32.4 m -60.11 -47.53 85.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.155 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.482 HG21 HD13 ' A' ' 778' ' ' LEU . 6.1 mt -57.97 -53.14 49.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.742 179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 1.3 mt -54.38 -52.76 60.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.181 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 8.6 m -57.93 -42.81 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.121 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 10.1 t -68.54 -48.38 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.326 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.683 ' HA ' HD12 ' A' ' 812' ' ' ILE . 2.1 m -65.36 -39.57 92.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.063 0.459 . . . . 0.0 110.72 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -30.71 70.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.658 176.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -64.8 -34.58 78.68 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.945 176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.683 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -66.21 -29.89 48.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.597 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -64.34 -39.46 93.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.12 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -27.33 53.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.646 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 23.7 p -94.15 -1.2 54.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.528 -176.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.69 ' HG2' HD12 ' A' ' 763' ' ' LEU . 2.7 ttm -59.62 101.19 0.1 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.247 0.546 . . . . 0.0 110.453 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 140.67 -40.35 1.38 Allowed Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -173.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -100.07 85.56 3.06 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 171.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.836 ' HB1' ' HA ' ' A' ' 878' ' ' ALA . . . -62.26 -25.59 67.92 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.927 -173.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.05 -43.81 98.64 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.495 175.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.419 ' OE2' ' HD2' ' A' ' 824' ' ' ARG . 18.8 tp10 -72.52 -34.18 67.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.664 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 32.1 mtp -59.94 -51.26 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.65 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.8 t -65.99 -37.0 78.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.299 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.506 ' HD3' HD11 ' A' ' 828' ' ' ILE . 0.4 OUTLIER -57.88 -52.57 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.135 175.576 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 1.032 ' HA ' HD12 ' A' ' 828' ' ' ILE . 53.8 mm-40 -63.06 -42.25 99.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.458 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -56.69 -37.6 71.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.021 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -42.49 99.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.466 176.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 1.032 HD12 ' HA ' ' A' ' 825' ' ' GLN . 4.2 mt -66.77 -40.43 85.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.174 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.581 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.5 tp -56.84 -48.94 76.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.188 176.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.474 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.63 -44.17 80.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.017 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -68.33 -41.13 81.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.036 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.1 86.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.334 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 5.1 m -66.14 -33.34 75.56 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.184 178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.11 -43.4 91.9 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 174.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.8 -46.32 82.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.394 177.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.65 -52.02 66.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.758 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.591 HG13 ' HB1' ' A' ' 860' ' ' ALA . 86.0 t -66.22 -37.42 79.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.653 0.263 . . . . 0.0 110.971 -175.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -70.16 -35.69 74.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.614 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.06 95.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.323 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 837' ' ' VAL . 14.0 mt -65.77 -41.41 90.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.59 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -56.24 -50.64 70.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.99 179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.86 82.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.189 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -70.07 -47.77 60.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.443 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.769 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -61.77 -37.15 83.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.776 -177.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.34 -29.43 70.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -106.52 16.2 41.19 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.186 179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.455 ' HA ' HG21 ' A' ' 790' ' ' THR . 0.0 OUTLIER -80.23 154.64 27.77 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.12 -46.05 17.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.025 -177.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -87.7 93.77 9.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.134 0.493 . . . . 0.0 109.82 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.449 ' HA ' HD22 ' A' ' 850' ' ' LEU . 0.3 OUTLIER -68.64 -9.25 48.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.874 -173.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -41.28 33.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.863 0.364 . . . . 0.0 110.282 172.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.801 ' HA ' ' HD3' ' A' ' 855' ' ' LYS . 16.7 t30 -68.73 -37.39 79.41 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.709 -178.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.769 ' HB2' ' HB1' ' A' ' 844' ' ' ALA . 13.3 p -58.69 -38.62 78.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.578 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 854' ' ' ARG . 1.8 mmt-85 -61.71 -43.12 99.46 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.801 ' HD3' ' HA ' ' A' ' 852' ' ' ASN . 0.8 OUTLIER -61.93 -37.76 85.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.363 177.373 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 853' ' ' SER . 93.5 mt -58.7 -49.55 77.18 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.397 177.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 853' ' ' SER . 8.3 mt -71.31 -31.09 67.02 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.044 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.7 m -64.0 -39.55 94.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 110.525 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.95 67.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.518 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.591 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.4 -27.61 69.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.83 177.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.83 99.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.202 176.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.471 ' H ' HG13 ' A' ' 862' ' ' ILE . 2.8 mt -66.83 -41.06 87.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.865 176.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -52.52 -53.8 41.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.404 176.723 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.666 -177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.38 -45.77 91.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.929 0.395 . . . . 0.0 110.96 -178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.3 87.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.435 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.581 HG23 ' HG ' ' A' ' 829' ' ' LEU . 82.1 m -65.37 -39.42 92.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 178.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.432 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -63.53 -46.49 85.78 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.32 -43.43 92.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.115 177.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.475 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -61.53 -52.17 65.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.818 178.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.4 HG13 ' HD2' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -62.6 -38.0 80.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.631 -179.164 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.9 mm-40 -74.88 -33.47 62.07 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.981 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.44 -44.14 68.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.384 176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -64.46 -35.05 79.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.826 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.4 ' HD2' HG13 ' A' ' 871' ' ' VAL . 9.5 mttt -69.67 -42.39 74.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.514 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.29 -41.63 94.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.9 179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -90.25 35.97 0.87 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.953 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.836 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -84.87 172.01 11.74 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.678 177.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -61.86 -38.93 90.1 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.502 -176.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.67 94.26 39.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.574 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -69.65 -40.97 4.84 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.644 2.229 . . . . 0.0 111.131 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.01 -71.13 0.11 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.133 -176.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.5 161.14 30.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.443 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.8 63.08 4.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.288 0.566 . . . . 0.0 109.549 173.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.23 123.44 23.69 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.85 -172.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -128.11 41.89 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.286 175.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.41 53.49 1.66 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.204 -176.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.32 66.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.439 -178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.498 -178.704 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 112.156 -0.378 . . . . 0.0 112.156 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 1.3 m -78.42 89.99 4.43 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.328 0.585 . . . . 0.0 110.701 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -148.26 57.59 1.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.514 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.61 91.76 3.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.66 -177.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.69 -168.75 2.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.095 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -76.11 132.81 40.27 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.289 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.68 106.22 8.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.312 -0.404 . . . . 0.0 109.955 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.42 163.9 25.75 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.517 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . 0.409 ' HA ' ' OE1' ' A' ' 759' ' ' GLU . 0.1 OUTLIER -69.81 -87.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 176.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 19.4 t0 177.17 -176.15 0.14 Allowed 'General case' 0 C--O 1.235 0.33 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -108.77 92.49 0.72 Allowed Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.3 44.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.161 0.505 . . . . 0.0 110.803 -177.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.527 ' HA ' HD13 ' A' ' 763' ' ' LEU . 0.8 OUTLIER -69.76 -64.91 0.79 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.102 -175.449 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 3.7 mt -80.26 -18.0 50.61 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 121.009 -0.276 . . . . 0.0 111.046 -176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -71.21 -55.42 8.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.475 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -86.17 -65.54 1.42 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.416 -179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.6 t -62.92 -40.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.662 0.268 . . . . 0.0 110.79 -177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.16 -47.54 86.82 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.545 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.61 -43.83 75.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.756 0.313 . . . . 0.0 110.849 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.47 96.38 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . 0.439 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -62.77 -44.72 95.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.7 m -63.94 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.78 93.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.306 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 33.2 t -65.13 -43.77 95.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.214 176.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 2.5 m -55.8 -45.28 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.743 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' ' 780' ' ' GLU . 3.5 mm100 -66.39 -50.12 64.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.931 179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . 0.426 ' HB1' HD22 ' A' ' 863' ' ' LEU . . . -57.25 -43.9 83.4 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.559 HD13 HG21 ' A' ' 805' ' ' ILE . 3.9 tp -64.25 -41.89 96.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.011 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -60.48 -41.01 93.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.268 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 776' ' ' GLN . 70.2 mm-40 -63.24 -45.8 89.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.655 177.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.776 HD11 HD13 ' A' ' 840' ' ' ILE . 4.2 tp -61.35 -40.52 94.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.095 -175.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 782' ' ' LEU . 7.0 mt -59.77 -45.87 90.93 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 121.177 -0.209 . . . . 0.0 111.134 -177.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -68.5 -37.85 80.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.201 0.524 . . . . 0.0 109.93 176.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -49.52 74.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.358 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 94.0 t -73.3 -41.75 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.589 -175.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . 0.46 ' HE2' HD22 ' A' ' 782' ' ' LEU . 0.2 OUTLIER -73.61 -32.31 64.0 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -174.342 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -105.62 -7.85 18.28 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -172.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -134.27 43.06 2.83 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.451 -0.5 . . . . 0.0 111.866 -175.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -129.15 -172.93 2.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.673 0.273 . . . . 0.0 110.56 177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.02 -12.97 48.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.839 0.352 . . . . 0.0 111.033 177.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 78.3 -74.58 2.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.205 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -100.82 117.52 35.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.761 0.315 . . . . 0.0 110.635 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 123.73 -123.08 5.11 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.062 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -78.25 53.69 4.62 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.912 2.408 . . . . 0.0 112.236 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -153.97 84.35 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.36 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -87.39 138.25 15.19 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.807 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.09 107.79 19.34 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.528 -0.395 . . . . 0.0 110.001 177.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.09 47.85 1.56 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.49 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -42.57 95.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.631 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -65.74 -41.8 91.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.483 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -61.41 -46.81 88.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.418 ' O ' HD21 ' A' ' 778' ' ' LEU . 0.9 OUTLIER -62.86 -40.58 97.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 0.0 110.32 178.222 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -60.46 -42.22 95.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.723 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 20.9 m -59.46 -49.53 77.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.619 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.559 HG21 HD13 ' A' ' 778' ' ' LEU . 3.3 mt -57.71 -52.06 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.856 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.486 ' HG ' ' CD2' ' A' ' 778' ' ' LEU . 1.9 mt -54.05 -47.99 71.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 22.5 m -61.13 -40.13 92.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 811' ' ' ASN . 25.1 t -66.4 -47.54 83.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.799 178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.58 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.8 m -62.35 -42.11 99.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.183 0.516 . . . . 0.0 110.615 179.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.53 -31.24 72.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.293 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.602 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 3.9 m-20 -61.79 -43.74 98.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.273 175.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.2 mt -61.07 -42.13 91.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.552 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -59.77 -38.17 81.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.153 0.501 . . . . 0.0 110.509 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 6.5 m -83.65 -1.82 54.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.409 -178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.7 m -127.76 26.27 5.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.953 0.406 . . . . 0.0 110.549 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 3.6 mmt -63.69 108.85 1.52 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.757 -178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 114.3 -10.24 22.27 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.123 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -76.28 -31.82 58.47 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-O 121.145 0.498 . . . . 0.0 110.564 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 68.58 -62.61 0.37 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.754 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -60.31 -49.98 72.65 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 121.403 -0.427 . . . . 0.0 112.966 -176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.526 ' OE1' ' HD2' ' A' ' 824' ' ' ARG . 6.5 tp10 -64.99 -34.79 79.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.052 0.453 . . . . 0.0 110.221 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 51.1 mtp -62.85 -47.36 83.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.56 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.23 -39.7 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.263 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.668 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 0.1 OUTLIER -55.37 -51.44 66.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.309 175.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 1.024 ' HA ' HD12 ' A' ' 828' ' ' ILE . 55.5 mm-40 -64.79 -39.49 93.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.589 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -58.86 -33.53 70.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.668 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 11.3 mtt180 -64.11 -46.46 84.11 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.893 0.378 . . . . 0.0 110.126 175.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 1.024 HD12 ' HA ' ' A' ' 825' ' ' GLN . 3.1 mt -63.24 -43.19 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.273 178.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.607 ' HG ' HG23 ' A' ' 867' ' ' THR . 13.3 tp -58.37 -48.93 79.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.5 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -59.11 -47.85 83.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.816 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -60.89 -49.14 78.69 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.141 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.73 -49.86 73.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.722 -176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 8.8 m -66.29 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.0 m -59.8 -42.12 92.74 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.091 0.472 . . . . 0.0 109.978 177.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -71.87 -42.63 66.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.244 177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 58.9 tp -55.69 -51.81 66.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.129 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.635 HG13 ' HB1' ' A' ' 860' ' ' ALA . 64.4 t -61.58 -42.74 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.772 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -65.63 -36.95 85.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.692 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.79 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.668 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.776 HD13 HD11 ' A' ' 781' ' ' LEU . 4.7 mt -63.4 -35.99 74.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.449 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER -55.47 -48.49 74.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 178.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.32 -32.68 62.94 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.392 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -75.26 -46.48 33.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.917 -176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -65.46 -18.54 65.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -70.25 -18.33 63.14 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.343 175.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -102.88 3.67 48.98 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.364 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.36 144.16 48.35 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 178.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.63 -33.14 66.44 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.532 -174.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.597 ' HB3' ' OD1' ' A' ' 852' ' ' ASN . 39.1 t0 -111.92 141.77 45.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.059 0.457 . . . . 0.0 110.22 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.27 -21.47 23.19 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.756 -173.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.4 OUTLIER -63.22 -49.88 72.42 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.183 -0.207 . . . . 0.0 110.947 -178.159 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.597 ' OD1' ' HB3' ' A' ' 849' ' ' ASP . 7.1 p-10 -73.73 -33.56 64.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.751 -179.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.558 ' HA ' HD12 ' A' ' 856' ' ' LEU . 77.0 p -67.23 -38.63 85.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.764 0.316 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -60.92 -46.42 90.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.47 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.676 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 13.3 mmtt -56.74 -40.83 76.46 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.656 0.741 . . . . 0.0 110.254 176.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 853' ' ' SER . 5.1 mt -56.17 -49.58 73.59 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.343 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.508 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.2 mt -75.87 -22.69 55.92 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.138 -177.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.446 ' O ' HG13 ' A' ' 862' ' ' ILE . 11.8 m -67.29 -36.33 81.32 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 173.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.673 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -72.14 -38.54 69.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.197 175.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.635 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.34 -33.78 75.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.512 176.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -64.04 -39.54 94.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.39 176.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.673 HD12 ' HA ' ' A' ' 859' ' ' ALA . 9.7 mt -66.92 -40.42 85.67 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-N 116.361 -0.381 . . . . 0.0 109.993 175.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.505 HD23 HD13 ' A' ' 781' ' ' LEU . 0.3 OUTLIER -52.72 -53.35 49.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.217 176.493 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.93 -46.02 83.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.344 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -59.29 -48.65 80.83 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.248 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -66.43 -38.85 88.34 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.879 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.607 HG23 ' HG ' ' A' ' 829' ' ' LEU . 86.2 m -66.15 -38.28 87.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.935 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.51 -43.15 91.02 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.199 176.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -33.8 76.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.085 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.439 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -66.07 -50.68 63.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.414 176.456 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -38.89 81.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.324 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 2.1 tt0 -68.52 -37.74 80.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.656 178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.81 -44.95 65.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.086 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.89 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.391 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -77.84 -32.29 52.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.98 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -73.56 -33.93 57.68 Favored Glycine 0 CA--C 1.519 0.282 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.515 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -92.22 1.78 57.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.845 0.355 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -83.76 55.73 3.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.227 0.537 . . . . 0.0 109.88 175.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -100.4 -58.17 1.96 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.29 -175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 881' ' ' PRO . 0.5 OUTLIER -147.78 107.89 3.75 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.23 -176.099 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 880' ' ' HIS . 11.1 Cg_endo -57.87 -50.8 9.37 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.19 1.927 . . . . 0.0 110.052 169.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 35.74 57.44 0.92 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.771 1.294 . . . . 0.0 112.164 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.79 65.49 2.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.147 -176.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.45 36.65 1.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.926 177.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.75 -24.04 58.65 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.814 0.816 . . . . 0.0 109.066 176.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -120.89 120.04 34.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.423 -1.262 . . . . 0.0 108.657 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -37.17 109.35 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 124.462 1.101 . . . . 0.0 112.6 -175.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -81.81 53.31 2.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.838 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.474 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . 0.439 ' HA3' ' HB2' ' A' ' 755' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -122.14 -71.24 0.74 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.799 0.333 . . . . 0.0 110.676 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -130.66 -38.02 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.05 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 1.4 ttt -70.92 -20.23 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.91 0.386 . . . . 0.0 111.142 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . 0.439 ' HB2' ' HA3' ' A' ' 751' ' ' GLY . 0.1 OUTLIER -67.18 104.13 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 179.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -161.86 -58.55 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.408 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -129.12 40.66 3.59 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.41 175.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.14 33.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.624 -177.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.96 136.48 45.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.935 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -65.54 116.87 7.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.86 -175.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -140.5 68.99 0.47 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.212 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 885' ' ' GLU . 1.7 mp0 -68.17 -28.34 67.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.849 0.357 . . . . 0.0 110.78 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.2 OUTLIER -62.15 -35.26 78.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.237 0.541 . . . . 0.0 110.022 175.668 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.07 -25.86 36.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.334 178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.532 ' HB2' ' HA ' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -64.5 -43.82 92.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.359 177.285 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -87.19 -66.94 1.34 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.408 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 7.1 t -67.41 -44.71 86.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.552 0.215 . . . . 0.0 111.493 -175.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -58.37 -54.7 35.52 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.559 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.71 89.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.77 0.319 . . . . 0.0 111.109 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -63.7 -45.54 89.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.214 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.85 -44.17 86.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 5.4 m -61.89 -35.15 77.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.828 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.8 91.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.499 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . 0.507 HG21 ' HG3' ' A' ' 870' ' ' MET . 41.3 t -63.91 -46.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.318 177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . 0.67 HG23 HD21 ' A' ' 806' ' ' LEU . 1.4 m -57.93 -44.79 87.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -69.22 -48.37 62.18 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.061 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -59.31 -45.18 92.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.757 0.313 . . . . 0.0 111.059 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.583 HD13 HG21 ' A' ' 805' ' ' ILE . 6.5 tp -61.45 -48.24 82.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.827 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.9 -32.97 74.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.77 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.16 -57.7 7.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 110.644 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.525 ' HG ' HG23 ' A' ' 785' ' ' VAL . 1.0 OUTLIER -59.96 -38.7 83.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.359 -176.521 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 7.8 mt -54.37 -54.52 39.42 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -66.42 -37.94 86.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.151 0.5 . . . . 0.0 110.064 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.474 ' NE2' ' HB3' ' A' ' 855' ' ' LYS . 74.2 t60 -64.62 -45.6 86.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.231 -178.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.525 HG23 ' HG ' ' A' ' 781' ' ' LEU . 54.6 t -67.88 -50.74 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.78 0.324 . . . . 0.0 111.581 -176.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -64.61 -12.49 46.09 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.551 0.575 . . . . 0.0 112.551 -170.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -120.77 -9.99 9.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -139.58 58.66 1.61 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.678 0.275 . . . . 0.0 111.353 -174.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.465 ' HB1' ' OD2' ' A' ' 843' ' ' ASP . . . -109.83 -152.42 0.49 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 11.8 m -62.21 120.84 11.72 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.252 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -62.94 -37.8 95.53 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.091 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -87.29 19.64 3.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.817 0.341 . . . . 0.0 111.065 177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -134.11 167.21 23.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.671 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.98 17.18 1.8 Allowed 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.834 2.356 . . . . 0.0 112.473 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 74.27 -47.29 0.63 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.851 0.86 . . . . 0.0 111.409 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 120.51 -156.64 15.98 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.51 110.76 10.72 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.973 0.416 . . . . 0.0 109.998 178.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 798' ' ' TYR . 1.3 m-85 -119.28 -11.8 9.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.801 -177.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.49 -44.54 94.06 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.703 -173.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -65.71 -47.25 75.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.883 0.373 . . . . 0.0 110.771 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.09 -48.97 79.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.052 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.567 HG22 HD11 ' A' ' 778' ' ' LEU . 22.0 p -66.15 -35.01 79.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.959 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -59.4 -47.12 86.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.041 0.448 . . . . 0.0 109.997 175.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 7.5 m -59.98 -45.22 93.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.697 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.583 HG21 HD13 ' A' ' 778' ' ' LEU . 9.9 mt -60.34 -55.77 22.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.67 HD21 HG23 ' A' ' 775' ' ' THR . 1.3 mt -56.17 -43.29 78.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.263 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 37.7 m -62.08 -38.12 87.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.72 0.295 . . . . 0.0 110.269 177.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.579 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.3 t -62.03 -49.66 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.445 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.22 -43.26 95.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.062 0.458 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.51 -37.33 83.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.174 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 48.0 m-20 -61.37 -48.53 80.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.204 176.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.785 HG21 ' HE1' ' A' ' 870' ' ' MET . 4.9 mt -61.54 -40.92 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.738 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -59.56 -43.89 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.033 0.444 . . . . 0.0 110.687 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 9.7 m -74.92 -36.34 62.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.486 -178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.6 m -96.85 21.9 8.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.241 -176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.417 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 4.9 ttm -65.3 104.29 0.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.393 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.55 -25.32 4.02 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.935 -177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -74.0 -28.46 61.47 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.242 0.544 . . . . 0.0 110.366 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.991 ' HB1' ' HA ' ' A' ' 878' ' ' ALA . . . 70.69 -60.8 0.49 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.142 -1.39 . . . . 0.0 112.424 178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.08 -52.88 50.74 Favored Glycine 0 C--N 1.329 0.15 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.722 -177.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -60.22 -34.55 73.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.062 0.458 . . . . 0.0 110.078 177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.463 ' HG2' HG23 ' A' ' 812' ' ' ILE . 33.8 mtp -62.08 -51.49 67.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.366 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.441 ' O ' ' HD3' ' A' ' 827' ' ' ARG . 95.4 t -62.59 -41.02 90.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.614 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -54.98 -53.87 50.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.686 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.771 ' HA ' HD12 ' A' ' 828' ' ' ILE . 68.8 mm-40 -63.55 -39.13 93.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.04 -34.15 72.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.016 178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.441 ' HD3' ' O ' ' A' ' 823' ' ' VAL . 3.5 mpp_? -66.6 -41.27 88.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.368 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.771 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.7 mt -69.41 -35.28 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.152 177.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.579 ' HB2' HG11 ' A' ' 808' ' ' VAL . 8.8 tp -57.11 -48.54 78.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.208 175.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.436 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -58.95 -36.91 75.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.939 178.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -69.15 -54.2 16.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.883 179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.47 -45.71 89.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.086 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 34.1 m -62.02 -37.47 85.03 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.603 0.223 . . . . 0.0 111.603 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 39.2 m -62.95 -36.9 84.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.988 0.423 . . . . 0.0 110.579 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.28 -40.5 64.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.099 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.44 -52.0 67.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.789 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.866 ' HA ' HD12 ' A' ' 840' ' ' ILE . 55.8 t -62.42 -33.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.799 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -58.96 -46.18 88.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.642 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.54 -41.67 99.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.867 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.866 HD12 ' HA ' ' A' ' 837' ' ' VAL . 5.4 mt -65.77 -44.37 93.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 178.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.459 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.7 OUTLIER -59.61 -36.15 75.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.022 -179.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.57 -46.01 41.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.352 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.465 ' OD2' ' HB1' ' A' ' 789' ' ' ALA . 0.2 OUTLIER -72.26 -39.98 68.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.681 0.276 . . . . 0.0 111.591 -176.053 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -62.59 -32.42 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.327 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -76.93 -7.21 55.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.007 0.432 . . . . 0.0 110.889 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -99.31 7.57 60.1 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.882 -0.675 . . . . 0.0 111.551 176.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -48.48 7.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.512 0.196 . . . . 0.0 110.941 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 1.3 m 62.66 19.1 11.11 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.885 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 850' ' ' LEU . 10.6 t70 -91.01 -26.86 19.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.262 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 854' ' ' ARG . 61.6 mt 73.82 -57.76 0.61 Allowed 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.883 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 30.3 tp10 -63.58 -49.41 73.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.786 0.327 . . . . 0.0 110.83 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -71.65 -37.33 70.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.923 0.392 . . . . 0.0 110.383 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 6.5 p -64.9 -45.24 86.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.44 -177.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 10.7 mtt-85 -59.78 -45.44 92.3 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.742 0.306 . . . . 0.0 110.324 177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.474 ' HB3' ' NE2' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.8 -40.55 69.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.498 0.666 . . . . 0.0 110.389 176.43 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 853' ' ' SER . 5.6 mt -65.85 -50.04 66.0 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.988 -1.006 . . . . 0.0 111.317 -177.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -31.9 59.92 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.934 -175.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 862' ' ' ILE . 52.7 m -66.05 -40.73 91.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.642 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.7 -41.32 98.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.082 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.477 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.55 -34.43 76.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.869 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt -64.66 -39.97 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.242 176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.642 HD12 ' HA ' ' A' ' 859' ' ' ALA . 17.4 mt -65.08 -39.66 86.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 176.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.53 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -54.49 -50.36 67.97 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.281 176.132 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.48 81.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.294 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -59.71 -50.17 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.044 0.449 . . . . 0.0 110.843 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.3 86.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.572 HG23 ' HG ' ' A' ' 829' ' ' LEU . 97.6 m -62.18 -42.76 99.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.052 178.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.96 99.57 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 110.357 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -41.2 96.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.087 177.289 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.785 ' HE1' HG21 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -62.35 -51.36 67.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.81 179.099 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -38.08 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.739 -179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -66.14 -49.49 67.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.753 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -43.64 80.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.44 -177.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.82 -45.91 90.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.054 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.41 -30.42 70.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.767 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -80.21 -11.03 84.79 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.733 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -106.1 0.64 25.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.005 0.431 . . . . 0.0 110.743 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.991 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -69.86 114.84 8.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.73 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 70.64 -64.23 0.38 Allowed 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.117 0.886 . . . . 0.0 111.094 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 881' ' ' PRO . 1.4 t-80 -118.51 131.83 24.08 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.358 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 880' ' ' HIS . 12.6 Cg_exo -70.34 73.46 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.88 2.386 . . . . 0.0 111.062 174.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.97 28.3 4.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.257 -176.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.53 174.34 6.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.048 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.0 61.37 6.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.402 0.62 . . . . 0.0 109.881 176.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.649 ' HB2' ' HB3' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -77.46 -29.1 52.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.45 -174.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -123.41 -31.29 3.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.455 -177.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -99.74 41.52 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.093 0.473 . . . . 0.0 111.276 -176.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.55 1.69 54.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.334 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.645 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.821 -0.511 . . . . 0.0 111.821 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -15.84 62.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.062 0.458 . . . . 0.0 111.045 -178.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -101.19 18.34 20.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.152 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . 0.514 ' HB3' ' HG3' ' A' ' 759' ' ' GLU . 0.1 OUTLIER -68.32 -42.41 79.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.098 0.475 . . . . 0.0 109.985 177.078 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.49 126.36 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.677 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -73.94 80.33 1.66 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.018 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -170.55 -107.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.663 178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.735 HG23 ' HB3' ' A' ' 764' ' ' LEU . 0.0 OUTLIER -89.39 4.99 47.21 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -174.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . 0.514 ' HG3' ' HB3' ' A' ' 754' ' ' MET . 1.0 OUTLIER -69.02 100.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 110.399 -179.254 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.82 26.04 15.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.239 -0.891 . . . . 0.0 111.25 -176.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -106.98 110.3 3.24 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.461 -0.655 . . . . 0.0 111.461 178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -75.31 -28.41 59.67 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.459 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.5 OUTLIER -63.98 -54.02 40.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.564 -178.6 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . 0.735 ' HB3' HG23 ' A' ' 758' ' ' THR . 0.1 OUTLIER -70.27 -16.96 63.09 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.792 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.495 ' HE ' ' HA ' ' A' ' 765' ' ' ARG . 1.8 tpm_? -82.46 -66.7 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.862 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -65.89 -55.79 17.76 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.601 -175.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.27 -39.23 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.733 0.302 . . . . 0.0 110.665 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -60.23 -53.44 45.65 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.495 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.73 99.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.832 0.349 . . . . 0.0 111.01 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -66.1 -45.31 81.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.284 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.97 91.21 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.026 -178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 89.6 m -61.65 -37.46 84.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.06 -44.66 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.445 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.13 -44.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.941 0.401 . . . . 0.0 110.472 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . 0.428 HG23 HD21 ' A' ' 806' ' ' LEU . 18.9 m -57.16 -42.24 80.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.99 178.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -64.38 -45.44 87.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -61.24 -42.08 98.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.737 HD22 ' HG ' ' A' ' 806' ' ' LEU . 0.5 OUTLIER -62.02 -45.55 93.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.016 179.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -58.58 -37.87 76.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.3 -54.2 36.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.843 178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.617 HD21 HD11 ' A' ' 840' ' ' ILE . 0.9 OUTLIER -64.1 -41.73 97.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.156 -177.011 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 782' ' ' LEU . 4.6 mt -57.1 -45.33 83.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.896 0.379 . . . . 0.0 110.535 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.29 -45.75 83.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.67 177.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -61.77 -44.35 97.06 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.679 -176.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.642 HG13 ' HA ' ' A' ' 789' ' ' ALA . 85.5 t -72.64 -29.71 31.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.97 0.414 . . . . 0.0 111.019 -178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -25.76 67.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.737 0.304 . . . . 0.0 111.181 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -109.24 -25.18 10.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 111.351 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -145.22 77.5 1.52 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.019 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.767 ' HB3' ' HA ' ' A' ' 795' ' ' ALA . . . -64.84 -67.99 0.39 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.96 0.41 . . . . 0.0 110.08 176.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 847' ' ' GLU . 0.6 OUTLIER -95.17 -54.88 3.26 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.263 0.554 . . . . 0.0 109.57 171.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 151.3 -101.03 0.21 Allowed Glycine 0 N--CA 1.447 -0.576 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.581 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -93.11 -8.81 41.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.268 0.556 . . . . 0.0 109.995 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.468 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . -89.69 -130.5 4.1 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.617 178.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.468 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 1.1 Cg_endo -84.34 -155.4 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 123.598 2.865 . . . . 0.0 112.874 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.767 ' HA ' ' HB3' ' A' ' 789' ' ' ALA . . . -136.95 86.1 2.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.68 178.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -70.87 100.95 0.88 Allowed Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.104 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -92.04 127.74 37.62 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.189 0.519 . . . . 0.0 110.933 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -116.53 36.31 4.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.911 176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.24 -35.94 78.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.702 -172.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -68.38 -39.99 81.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.677 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -63.31 -48.16 79.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.515 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.46 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.6 OUTLIER -62.93 -39.73 95.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.568 178.293 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -59.41 -47.26 86.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.506 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.3 m -59.25 -45.42 91.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.966 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.565 HG23 ' CD1' ' A' ' 829' ' ' LEU . 20.2 mt -60.76 -53.54 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.945 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.737 ' HG ' HD22 ' A' ' 778' ' ' LEU . 0.1 OUTLIER -54.37 -46.49 73.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 86.5 m -61.95 -46.21 90.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.748 0.309 . . . . 0.0 111.12 177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.612 HG13 ' HB3' ' A' ' 825' ' ' GLN . 2.6 t -57.97 -48.28 84.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.021 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.502 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.3 m -63.16 -39.37 94.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.846 -178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.28 -41.44 98.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.157 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -59.85 -37.6 79.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.554 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 809' ' ' THR . 4.9 mt -64.96 -36.52 77.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.541 178.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -60.97 -47.4 86.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.084 0.468 . . . . 0.0 110.453 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.83 -35.82 80.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.319 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.0 m -98.52 22.56 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.35 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.459 ' HG2' HD12 ' A' ' 763' ' ' LEU . 9.5 ttm -67.09 96.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.028 0.442 . . . . 0.0 110.456 179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.16 -5.52 7.28 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.89 -176.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -84.26 -22.62 30.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.229 0.538 . . . . 0.0 110.182 176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 67.69 -65.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.438 -1.256 . . . . 0.0 112.102 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.9 62.29 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.546 -0.359 . . . . 0.0 112.888 -177.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -61.09 -38.79 87.52 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 120.867 0.365 . . . . 0.0 110.51 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 40.0 mtp -60.5 -51.51 69.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.788 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.17 -39.1 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.428 178.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -54.76 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.555 177.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.624 ' HA ' HD12 ' A' ' 828' ' ' ILE . 50.4 mm-40 -63.38 -40.21 96.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.618 179.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.76 -36.87 77.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.29 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -64.9 -42.14 95.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.957 0.408 . . . . 0.0 110.435 178.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.0 mt -68.12 -37.81 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.085 175.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.593 ' HB2' HG11 ' A' ' 808' ' ' VAL . 19.8 tp -57.51 -49.05 77.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.353 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.513 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -62.08 -39.85 93.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.776 178.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.03 -45.85 83.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.953 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.46 -50.05 69.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.59 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.5 m -62.42 -31.31 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.506 0.187 . . . . 0.0 111.506 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.6 m -59.66 -45.73 91.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.688 0.28 . . . . 0.0 110.256 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.02 -39.01 76.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.396 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.441 ' O ' HD12 ' A' ' 840' ' ' ILE . 27.4 tp -60.46 -52.13 66.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.993 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.559 HG13 ' HB1' ' A' ' 860' ' ' ALA . 76.7 t -67.27 -40.8 85.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.883 0.373 . . . . 0.0 110.554 -178.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -61.65 -40.31 94.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.82 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.98 -40.92 91.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.749 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.617 HD11 HD21 ' A' ' 781' ' ' LEU . 5.0 mt -61.62 -44.58 98.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.128 177.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.473 ' HA ' HD21 ' A' ' 857' ' ' LEU . 3.2 ttpt -59.61 -38.87 82.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.801 178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -69.64 -39.67 76.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.262 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.78 -48.77 35.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.289 . . . . 0.0 110.979 -178.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.536 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -62.08 -18.74 61.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.626 -178.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -68.06 -30.79 70.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.177 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -90.77 -9.19 64.52 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.226 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 790' ' ' THR . 5.4 tp10 -78.1 136.24 37.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.872 0.367 . . . . 0.0 111.049 -178.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.34 -24.74 25.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.222 177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -70.71 90.33 0.77 Allowed 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.086 176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.1 -25.66 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.441 -175.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.54 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 2.7 tp10 -69.52 -49.7 51.99 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 176.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -66.29 -40.37 90.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.045 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.536 ' HB2' ' HB1' ' A' ' 844' ' ' ALA . 70.5 p -62.56 -39.38 93.47 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -46.6 87.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.416 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 12.6 mmtt -58.44 -42.78 88.12 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.429 0.633 . . . . 0.0 110.165 176.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.09 -50.1 75.37 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.435 -176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 841' ' ' LYS . 3.5 mt -75.81 -22.44 56.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.514 -176.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.448 ' O ' HG13 ' A' ' 862' ' ' ILE . 51.9 m -73.0 -44.19 61.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.914 0.387 . . . . 0.0 110.007 175.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.66 -39.81 95.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.367 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.559 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.77 -32.41 74.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.74 176.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.76 -41.55 97.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.445 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 859' ' ' ALA . 6.7 mt -62.33 -42.55 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.497 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.3 OUTLIER -54.75 -54.58 40.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.559 177.545 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -63.34 -48.77 76.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.73 -177.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.83 -45.6 93.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.39 -36.37 83.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.756 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.584 HG23 ' HG ' ' A' ' 829' ' ' LEU . 73.7 m -61.68 -41.03 97.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.846 179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -66.85 -35.91 81.13 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.759 0.314 . . . . 0.0 110.734 177.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -63.98 -41.71 97.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.539 ' HA ' ' HB1' ' A' ' 770' ' ' ALA . 0.0 OUTLIER -68.24 -50.24 55.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.093 179.464 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -38.1 76.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.689 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.48 -33.21 64.72 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.83 -44.38 77.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.889 0.376 . . . . 0.0 110.462 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.09 89.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.936 179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.81 -35.93 82.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.795 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -77.81 0.33 71.98 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.128 -0.558 . . . . 0.0 112.61 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -118.31 7.89 12.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.029 0.443 . . . . 0.0 110.508 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -66.93 -27.94 67.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -94.44 12.42 27.26 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.302 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -136.64 87.68 20.48 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 120.936 -0.306 . . . . 0.0 111.54 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -77.25 -178.24 4.44 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.562 2.174 . . . . 0.0 111.094 174.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -76.07 66.73 2.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.192 0.52 . . . . 0.0 109.867 175.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 4.6 m -172.22 -178.04 1.97 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.387 -176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 61.85 36.52 15.95 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 123.655 0.597 . . . . 0.0 111.699 175.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -95.15 148.36 22.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.761 176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -136.1 -164.8 1.61 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.742 0.306 . . . . 0.0 110.669 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -91.96 -3.37 55.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 65.68 41.8 3.85 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.534 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.263 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -73.36 0.29 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.964 0.412 . . . . 0.0 110.29 179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -166.81 -72.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.3 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -151.35 107.7 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.293 -177.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . 0.61 ' HB2' HG23 ' A' ' 758' ' ' THR . 53.2 mt-30 -125.44 178.2 5.76 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.1 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -76.44 -25.66 54.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.449 . . . . 0.0 110.715 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -130.62 42.86 3.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.61 HG23 ' HB2' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -75.43 91.22 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.423 177.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.84 -6.27 53.63 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.448 -176.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -71.13 -21.23 62.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.214 0.531 . . . . 0.0 109.685 174.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -87.75 55.51 4.4 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 174.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . 0.448 ' HG2' ' HA3' ' A' ' 766' ' ' GLY . 2.3 tt0 -109.64 23.48 14.37 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.624 0.25 . . . . 0.0 110.958 -177.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.638 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.3 OUTLIER -58.25 -53.62 56.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.814 -178.69 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 1.3 mp -98.09 -35.44 10.41 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.029 0.442 . . . . 0.0 110.174 178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.443 ' HB2' ' HA ' ' A' ' 762' ' ' GLN . 8.4 mmp_? -58.89 -44.83 91.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.774 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . 0.448 ' HA3' ' HG2' ' A' ' 762' ' ' GLN . . . -98.15 -59.92 0.93 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.85 -177.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 4.1 t -60.12 -42.32 89.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -174.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.41 -47.32 88.93 Favored Glycine 0 CA--C 1.518 0.263 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.458 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -68.26 -43.09 78.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.693 0.282 . . . . 0.0 111.152 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -67.68 -42.77 81.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.488 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -61.6 -43.48 98.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.159 0.504 . . . . 0.0 110.761 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 20.5 m -65.96 -34.59 78.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.892 178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.35 -43.47 92.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.851 0.358 . . . . 0.0 110.556 177.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.89 -44.3 98.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.284 176.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 14.8 m -58.02 -46.54 85.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.982 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -68.33 -41.16 81.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.289 -179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.85 -44.29 90.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.036 0.446 . . . . 0.0 110.761 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.462 HD13 HG21 ' A' ' 805' ' ' ILE . 1.2 tp -66.09 -42.56 89.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.753 179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . 0.453 ' O ' ' HG2' ' A' ' 783' ' ' GLN . 1.1 m-20 -58.15 -37.79 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.468 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.38 -51.96 67.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.718 178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.477 HD21 HD11 ' A' ' 840' ' ' ILE . 0.5 OUTLIER -68.72 -37.49 79.52 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.361 -176.722 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 782' ' ' LEU . 3.5 mt -54.19 -53.5 52.67 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -176.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 779' ' ' ASN . 3.2 mm-40 -69.08 -34.97 75.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.233 0.539 . . . . 0.0 110.129 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.434 ' HD2' HD23 ' A' ' 856' ' ' LEU . 70.4 t60 -64.12 -34.32 77.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.627 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 38.7 t -79.17 -49.71 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.792 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -57.69 -34.52 69.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -174.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -96.24 14.12 25.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 26.2 m-70 -144.92 -77.39 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 122.396 -0.19 . . . . 0.0 110.528 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.488 ' HB1' ' HD2' ' A' ' 797' ' ' ARG . . . 59.07 -93.0 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.772 0.67 . . . . 0.0 112.05 177.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.11 39.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.91 0.386 . . . . 0.0 110.329 -179.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . 0.47 ' HA2' ' HB2' ' A' ' 849' ' ' ASP . . . 76.04 -63.63 2.81 Favored Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -171.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -113.22 31.23 6.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.137 0.494 . . . . 0.0 110.043 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.41 ' HA2' ' HD3' ' A' ' 794' ' ' PRO . . . -75.94 123.14 6.85 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.844 -0.693 . . . . 0.0 111.848 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.41 ' HD3' ' HA2' ' A' ' 793' ' ' GLY . 32.3 Cg_exo -59.07 -47.99 15.76 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.004 2.47 . . . . 0.0 112.709 -177.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -172.73 -161.03 0.15 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.78 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 76.45 -155.36 45.3 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.612 -0.804 . . . . 0.0 111.632 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.488 ' HD2' ' HB1' ' A' ' 789' ' ' ALA . 0.0 OUTLIER 64.3 101.38 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 122.826 0.451 . . . . 0.0 111.171 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 52.83 19.94 1.46 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.907 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -74.44 -29.62 61.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 0.0 111.504 -176.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -77.24 -39.07 49.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.971 0.415 . . . . 0.0 110.275 176.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -58.26 -46.33 86.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.744 177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.459 ' HA ' HD11 ' A' ' 778' ' ' LEU . 0.7 OUTLIER -62.96 -42.83 99.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.518 179.138 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.88 -39.94 93.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.735 178.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 26.9 m -59.43 -49.72 76.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.44 176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.647 HG23 HD11 ' A' ' 829' ' ' LEU . 5.8 mt -59.19 -50.55 79.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.734 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.478 ' HA ' HD23 ' A' ' 806' ' ' LEU . 1.0 OUTLIER -52.82 -48.6 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.777 178.269 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.5 m -60.08 -46.16 90.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.199 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.525 HG13 ' HB3' ' A' ' 825' ' ' GLN . 25.2 t -64.39 -47.34 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.588 0.232 . . . . 0.0 111.347 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.2 m -63.42 -40.07 96.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.923 0.392 . . . . 0.0 110.472 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -37.75 88.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.937 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 35.4 m-20 -61.06 -42.6 98.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.428 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.4 mt -63.42 -37.77 80.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.41 177.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.95 -46.71 88.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.132 0.491 . . . . 0.0 110.309 176.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 1.5 m -67.22 -49.36 64.79 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.16 179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 18.7 m -88.81 31.67 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.696 0.284 . . . . 0.0 111.525 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.638 ' HG2' HD12 ' A' ' 763' ' ' LEU . 3.7 ttm -68.07 105.24 1.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 110.398 178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.93 -22.62 5.4 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.444 -1.062 . . . . 0.0 110.444 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . 0.513 ' HB3' ' HB3' ' A' ' 821' ' ' GLU . 0.4 OUTLIER -84.36 82.89 8.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -50.34 -58.61 5.29 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.79 -45.85 95.06 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.82 -178.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 818' ' ' ASP . 19.1 tp10 -62.8 -43.15 99.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.735 0.302 . . . . 0.0 110.819 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.428 ' HG2' HG23 ' A' ' 812' ' ' ILE . 13.6 mtp -59.76 -47.12 86.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.593 179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 23.9 t -62.76 -41.98 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.093 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.903 ' HA ' ' HD3' ' A' ' 827' ' ' ARG . 2.8 tmm_? -55.37 -51.56 66.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.561 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.527 ' HA ' HD12 ' A' ' 828' ' ' ILE . 44.5 mm-40 -65.53 -35.36 80.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.47 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.27 98.99 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.903 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 0.0 OUTLIER -69.66 -28.62 66.03 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.379 179.219 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 825' ' ' GLN . 40.4 mt -70.06 -42.42 79.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 172.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.647 HD11 HG23 ' A' ' 805' ' ' ILE . 15.5 tp -55.82 -47.42 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.608 -0.723 . . . . 0.0 110.587 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.467 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -58.16 -38.36 76.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.977 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.85 -49.22 31.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.232 -179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.58 95.87 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.288 -176.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.553 ' HA ' HD11 ' A' ' 805' ' ' ILE . 5.5 m -65.97 -33.96 77.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.993 179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.4 ' HB2' ' O ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -63.45 -39.73 95.26 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 177.282 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -65.92 -41.59 91.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.248 177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.3 tp -59.29 -52.0 67.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.893 178.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.554 HG13 ' HB1' ' A' ' 860' ' ' ALA . 89.6 t -64.99 -41.73 92.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.771 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -61.56 -45.19 95.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.653 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.52 90.44 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.712 178.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.477 HD11 HD21 ' A' ' 781' ' ' LEU . 6.5 mt -63.8 -49.35 82.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.846 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.8 OUTLIER -56.67 -39.0 73.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.225 -177.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -75.63 -50.22 16.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.28 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.84 -38.91 92.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.505 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.507 ' HB3' HD21 ' A' ' 857' ' ' LEU . . . -66.55 -22.77 66.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.69 -178.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -75.47 -9.82 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -134.01 37.29 1.99 Allowed Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.53 170.06 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.076 0.465 . . . . 0.0 111.336 -175.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 5.6 m -103.3 -38.8 7.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.123 -177.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.639 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 11.8 t70 -71.76 -42.41 67.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.492 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 849' ' ' ASP . 0.3 OUTLIER 78.52 -53.22 0.48 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.608 0.763 . . . . 0.0 111.198 178.44 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.02 -44.74 88.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.639 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 6.4 t30 -53.86 -45.48 70.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.608 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.926 ' HA ' HD12 ' A' ' 856' ' ' LEU . 0.3 OUTLIER -61.97 -41.91 98.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.613 -176.616 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 850' ' ' LEU . 27.6 mtp85 -60.17 -34.12 73.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.087 0.47 . . . . 0.0 110.368 178.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -33.05 56.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.81 177.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.926 HD12 ' HA ' ' A' ' 853' ' ' SER . 89.5 mt -58.24 -47.78 82.45 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.876 -178.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 844' ' ' ALA . 1.2 mt -68.32 -36.55 79.46 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.942 -177.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 23.7 m -62.21 -47.64 83.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 110.227 174.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.23 93.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.554 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -64.09 -32.05 73.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 178.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -43.75 98.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.25 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.415 HG13 ' H ' ' A' ' 862' ' ' ILE . 1.0 OUTLIER -67.11 -36.26 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.275 176.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.1 OUTLIER -55.0 -56.37 20.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.541 177.532 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -66.34 -36.02 81.84 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.721 -177.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.46 -42.71 99.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.256 0.551 . . . . 0.0 110.11 177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.4 -34.28 77.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.938 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.467 ' CG2' ' HA ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -62.5 -44.35 96.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.331 179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.66 -37.61 88.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.947 0.403 . . . . 0.0 110.512 178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -64.53 -43.89 92.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.251 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -66.26 -49.06 68.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.973 179.77 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -35.97 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.687 -179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.6 tt0 -67.6 -40.28 84.77 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -70.73 -45.25 65.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.963 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.02 -44.83 96.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.25 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 29.8 mttm -69.03 -27.08 65.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.021 0.438 . . . . 0.0 110.749 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -81.07 -24.14 58.08 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.378 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -73.45 -21.98 60.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.988 0.423 . . . . 0.0 110.545 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -75.98 79.72 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.924 176.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -56.15 -37.12 69.06 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -96.05 113.04 61.43 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 174.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.99 66.43 2.49 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.772 2.315 . . . . 0.0 112.237 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.75 -2.07 18.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.31 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.87 48.7 1.38 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.093 178.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 152.5 21.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.867 -174.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -19.25 53.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.598 0.713 . . . . 0.0 109.649 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.48 -27.4 67.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.481 174.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -86.99 113.98 23.21 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 172.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -102.41 40.79 1.3 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.185 0.517 . . . . 0.0 110.819 -172.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.893 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.102 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 13.6 m 57.79 37.92 27.2 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 122.837 0.455 . . . . 0.0 112.026 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -153.6 -167.37 2.67 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 3.2 ttm -86.75 41.77 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.169 0.509 . . . . 0.0 110.668 178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -74.5 -27.9 60.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.125 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -178.08 93.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.794 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -65.32 146.45 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.708 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.83 53.67 11.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.487 -177.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . 0.435 ' HB3' ' HB2' ' A' ' 881' ' ' PRO . 0.0 OUTLIER -106.15 102.65 12.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.935 178.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . 0.9 ' HA ' ' HA ' ' A' ' 883' ' ' SER . 4.9 m-20 -108.86 21.14 17.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.647 -174.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 104.08 37.71 2.85 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.243 176.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -89.32 61.98 5.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.192 0.52 . . . . 0.0 109.935 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.465 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.4 OUTLIER -62.07 -65.04 0.75 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.148 -176.353 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.75 -21.2 44.74 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.936 0.398 . . . . 0.0 110.774 -176.473 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 765' ' ' ARG . 0.0 OUTLIER -72.31 -47.57 48.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.5 177.421 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -87.61 -60.57 1.61 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.475 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 9.2 t -66.16 -45.26 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.449 0.166 . . . . 0.0 110.809 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -54.04 -52.11 45.53 Favored Glycine 0 N--CA 1.453 -0.183 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.634 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.14 97.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.63 -45.21 87.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.137 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.72 -41.04 98.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.697 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 25.4 m -62.8 -43.95 97.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.366 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -56.14 -46.88 79.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.36 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.7 -50.3 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.878 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.6 m -59.16 -40.38 85.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -71.74 -39.37 70.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.79 -43.43 96.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.006 0.432 . . . . 0.0 110.263 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.8 HD11 ' HA ' ' A' ' 802' ' ' THR . 2.4 tp -61.56 -45.01 95.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.293 176.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . 0.442 ' O ' ' HG3' ' A' ' 783' ' ' GLN . 2.7 m-20 -57.44 -43.84 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.482 177.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.86 -54.22 49.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.621 178.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.558 HD11 HD13 ' A' ' 840' ' ' ILE . 0.6 OUTLIER -60.76 -43.6 97.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.126 -178.518 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.2 mt -58.03 -46.77 84.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.138 -178.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' ' 779' ' ' ASN . 70.1 mt-30 -65.5 -32.28 73.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.266 0.555 . . . . 0.0 110.586 178.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -75.5 -46.65 31.02 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.191 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.518 ' HA ' ' O ' ' A' ' 788' ' ' HIS . 88.3 t -70.65 -31.33 45.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.915 0.388 . . . . 0.0 111.165 -176.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -63.84 -30.8 71.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.794 0.33 . . . . 0.0 110.652 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -95.37 -24.99 16.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.518 ' O ' ' HA ' ' A' ' 785' ' ' VAL . 91.8 m-70 -139.56 112.7 8.16 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.745 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.559 ' HB3' ' HD2' ' A' ' 794' ' ' PRO . . . -138.22 -178.13 5.14 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.083 176.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.16 114.58 13.83 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.415 177.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 97.9 51.25 1.53 Allowed Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 -175.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . 74.42 -68.81 0.2 Allowed 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.601 0.761 . . . . 0.0 110.843 -178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 171.62 68.13 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.569 -0.825 . . . . 0.0 112.653 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.559 ' HD2' ' HB3' ' A' ' 789' ' ' ALA . 11.4 Cg_exo -71.95 -6.34 18.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.602 2.201 . . . . 0.0 112.111 178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 71.02 -61.36 0.48 Allowed 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.858 0.863 . . . . 0.0 111.724 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -72.07 118.02 6.68 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' A' ' 798' ' ' TYR . 0.0 OUTLIER -158.63 -48.02 0.06 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.567 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -131.98 34.65 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 178.519 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -74.2 -21.74 59.68 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.103 -171.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -76.91 -41.87 41.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.014 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.64 83.94 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.118 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.8 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.9 p -59.09 -46.38 88.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.903 0.383 . . . . 0.0 111.124 -178.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -59.51 -44.61 93.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.65 179.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 21.6 m -63.8 -47.1 82.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.61 -178.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.448 HG23 ' CD1' ' A' ' 829' ' ' LEU . 4.0 mt -57.25 -53.98 36.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.693 0.282 . . . . 0.0 110.787 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.421 ' HB2' ' CD2' ' A' ' 778' ' ' LEU . 1.5 tt -55.24 -47.72 74.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.712 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 32.9 m -58.08 -44.61 87.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.12 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.625 HG13 ' HB3' ' A' ' 825' ' ' GLN . 5.2 t -65.15 -48.59 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.116 -179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.553 ' HA ' HD12 ' A' ' 812' ' ' ILE . 1.0 OUTLIER -63.24 -40.08 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.704 0.287 . . . . 0.0 110.836 -179.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -63.44 -33.83 76.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.325 177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.6 m-20 -61.58 -39.93 92.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.489 177.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.608 HG23 ' HG2' ' A' ' 822' ' ' MET . 4.4 mt -65.51 -33.78 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.395 178.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -64.82 -47.35 78.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.937 0.398 . . . . 0.0 110.241 176.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.52 -37.54 87.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.427 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 49.5 m -109.52 34.73 3.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.778 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.489 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 2.9 ttm -68.0 97.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.34 0.591 . . . . 0.0 109.7 175.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 135.64 -22.87 3.46 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 110.464 -1.054 . . . . 0.0 110.464 -173.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -88.97 83.62 6.6 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.706 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -45.28 -57.85 3.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.946 -1.025 . . . . 0.0 113.278 -173.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 824' ' ' ARG . . . -55.82 -48.27 73.35 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.754 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' ' 825' ' ' GLN . 6.1 tp10 -68.38 -40.58 81.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.538 0.209 . . . . 0.0 110.472 179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.608 ' HG2' HG23 ' A' ' 812' ' ' ILE . 7.9 mtp -57.94 -50.32 73.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.776 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.764 HG22 ' HA ' ' A' ' 875' ' ' LYS . 38.2 t -67.35 -39.48 82.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.174 177.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 820' ' ' GLY . 0.4 OUTLIER -55.79 -55.03 37.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.779 177.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.795 ' HA ' HD12 ' A' ' 828' ' ' ILE . 78.4 mm-40 -61.62 -39.08 89.99 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.465 0.478 . . . . 0.0 110.621 179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 871' ' ' VAL . . . -55.17 -43.04 73.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.176 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.505 ' HD3' ' HA ' ' A' ' 824' ' ' ARG . 1.7 mtp-105 -62.39 -42.21 99.25 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.919 0.39 . . . . 0.0 110.581 178.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 825' ' ' GLN . 9.0 mt -66.76 -40.29 85.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.169 179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.448 ' CD1' HG23 ' A' ' 805' ' ' ILE . 13.9 tp -57.54 -48.69 78.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.273 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.504 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.27 -46.71 79.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 178.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -66.7 -40.16 88.37 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.088 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.22 -49.94 67.77 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.183 -178.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.9 m -64.15 -30.92 71.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.144 178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 66.5 m -58.94 -44.36 91.39 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 176.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.93 -40.23 75.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.63 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 52.4 tp -61.46 -51.77 67.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.54 HG13 ' HB1' ' A' ' 860' ' ' ALA . 90.3 t -66.79 -41.9 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.593 -178.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.84 -43.44 94.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.753 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.558 HD13 HD11 ' A' ' 781' ' ' LEU . 8.1 mt -62.56 -48.28 88.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.0 OUTLIER -59.19 -37.03 76.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.305 -177.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.32 -39.14 54.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.175 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.2 -46.39 42.31 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.581 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -64.31 -21.09 66.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.167 -177.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.97 -22.6 66.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.639 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -113.13 29.0 8.3 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.221 179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.25 149.2 26.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.833 0.349 . . . . 0.0 110.48 179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.89 -29.14 58.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.792 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.66 125.21 51.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.57 -29.31 46.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.753 -177.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.5 OUTLIER -69.66 -48.01 61.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.465 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -60.15 -39.4 86.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.948 175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 3.4 t -57.88 -47.11 83.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.141 175.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -56.84 -43.13 80.79 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.98 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 9.5 mmtt -60.19 -45.31 93.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.435 0.636 . . . . 0.0 109.92 176.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 7.2 mt -59.94 -49.77 76.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.698 -176.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 3.1 mt -75.88 -29.22 58.42 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.212 -0.903 . . . . 0.0 111.621 -175.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 62.9 m -68.16 -39.52 82.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.724 0.297 . . . . 0.0 110.372 176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.554 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -65.58 -39.74 91.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.414 176.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.54 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -65.77 -28.93 69.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.938 177.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -45.45 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.146 176.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.554 HD12 ' HA ' ' A' ' 859' ' ' ALA . 8.2 mt -61.32 -44.21 98.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.045 176.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.494 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -52.07 -51.99 54.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.878 178.279 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.17 -48.8 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.06 -176.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.51 -38.38 77.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.698 0.285 . . . . 0.0 111.523 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.92 -35.68 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.961 0.41 . . . . 0.0 110.519 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.504 HG21 ' HA ' ' A' ' 830' ' ' ALA . 96.9 m -65.68 -38.04 88.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.157 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.27 93.53 Favored 'General case' 0 CA--C 1.513 -0.448 0 C-N-CA 120.59 -0.444 . . . . 0.0 109.838 175.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.3 -40.64 68.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.071 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.575 ' HE2' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -69.3 -52.23 29.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.444 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.586 ' O ' ' HB3' ' A' ' 875' ' ' LYS . 0.4 OUTLIER -62.95 -34.44 66.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.987 0.422 . . . . 0.0 111.021 -178.439 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.512 ' HA ' ' HE2' ' A' ' 875' ' ' LYS . 46.5 mm-40 -75.93 -33.66 59.87 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.458 -178.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -78.11 -51.13 10.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.442 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . 0.546 ' HB2' ' HE1' ' A' ' 870' ' ' MET . . . -63.7 -36.31 83.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.621 -175.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.764 ' HA ' HG22 ' A' ' 823' ' ' VAL . 0.3 OUTLIER -79.28 -24.96 42.57 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.095 0.474 . . . . 0.0 110.358 -177.666 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -83.47 -49.48 4.89 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.008 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.654 ' HA ' ' HG3' ' A' ' 881' ' ' PRO . . . -85.95 40.29 0.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.079 0.466 . . . . 0.0 111.046 -179.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.706 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -81.21 102.11 10.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.818 178.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . 0.487 ' HB2' ' HB2' ' A' ' 819' ' ' ALA . . . 65.78 -76.85 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.977 0.798 . . . . 0.0 111.479 179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -141.06 110.68 6.54 Favored Pre-proline 0 C--N 1.319 -0.735 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.654 ' HG3' ' HA ' ' A' ' 877' ' ' ALA . 6.2 Cg_exo -73.41 -104.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 122.575 2.183 . . . . 0.0 110.138 173.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . 0.537 ' H ' ' HB2' ' A' ' 881' ' ' PRO . 0.5 OUTLIER -104.83 -45.93 4.44 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 167.292 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . 0.9 ' HA ' ' HA ' ' A' ' 760' ' ' ASP . 87.6 p 42.59 69.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.091 -1.413 . . . . 0.0 112.754 169.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -67.66 121.54 16.13 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -55.34 116.79 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.312 -173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -70.48 -40.49 73.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.007 -175.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -74.72 -24.22 58.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.268 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.52 ' HB3' HE21 ' A' ' 888' ' ' GLN . 0.0 OUTLIER 55.5 40.85 31.26 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.927 -179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.384 -0.817 . . . . 0.0 109.82 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.051 -0.419 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.68 -42.78 27.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.083 0.468 . . . . 0.0 111.129 -178.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -116.83 -36.07 3.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.861 -176.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 1.2 tpt -136.02 132.42 36.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.48 -178.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -80.99 117.65 21.79 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -104.97 89.74 3.24 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.533 179.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -76.98 114.67 16.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.808 176.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.57 81.58 1.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.163 0.506 . . . . 0.0 111.648 -176.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -149.06 163.36 37.78 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.46 177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . 0.498 ' OD1' ' HD3' ' A' ' 765' ' ' ARG . 9.0 t70 -160.9 -75.69 0.06 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 119.231 -0.414 . . . . 0.0 109.904 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 16.66 -99.01 0.01 OUTLIER Glycine 0 C--N 1.349 1.254 0 O-C-N 124.805 1.315 . . . . 0.0 114.865 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . 0.509 ' NE2' ' HA ' ' A' ' 877' ' ' ALA . 11.9 pt20 -123.36 -18.75 6.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.919 0.39 . . . . 0.0 110.15 175.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 763' ' ' LEU . 1.2 mm? -66.7 -64.88 0.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.583 -178.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.62 -21.51 52.18 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.049 0.452 . . . . 0.0 110.493 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.533 ' HA ' ' HD2' ' A' ' 765' ' ' ARG . 0.0 OUTLIER -67.56 -58.6 4.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.938 178.485 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -89.58 -61.44 1.37 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.349 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . 0.418 ' H ' HG23 ' A' ' 767' ' ' VAL . 1.6 t -60.96 -42.38 92.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.531 0.205 . . . . 0.0 111.03 -176.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.17 -51.13 59.34 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.999 -0.619 . . . . 0.0 112.677 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -63.78 -45.81 88.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.924 0.392 . . . . 0.0 110.911 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.25 -43.53 94.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.419 -178.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.79 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.008 0.432 . . . . 0.0 110.893 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 21.3 m -62.74 -36.01 81.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.619 177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.72 -45.42 94.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 178.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . 0.418 ' CG2' ' HG3' ' A' ' 870' ' ' MET . 62.8 t -63.47 -44.43 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.898 0.38 . . . . 0.0 110.489 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . 0.534 HG23 HD21 ' A' ' 806' ' ' LEU . 20.6 m -57.74 -44.34 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.226 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.92 -35.8 64.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.991 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.953 0.406 . . . . 0.0 110.267 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.44 HD22 ' HG ' ' A' ' 806' ' ' LEU . 0.3 OUTLIER -61.56 -45.66 93.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.124 175.621 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . 0.559 ' O ' ' HG3' ' A' ' 783' ' ' GLN . 7.4 m-20 -56.77 -47.73 79.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.146 176.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -56.99 15.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.162 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.665 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -61.74 -44.21 97.35 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.837 -174.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 782' ' ' LEU . 11.9 mt -60.37 -43.74 96.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.465 0.174 . . . . 0.0 111.15 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' A' ' 779' ' ' ASN . 30.1 mt-30 -69.56 -43.81 72.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.121 0.486 . . . . 0.0 110.019 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.6 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 74.6 t60 -60.46 -43.22 97.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.732 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 74.3 t -72.24 -53.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.594 0.235 . . . . 0.0 110.922 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 18.8 mtmt -63.93 -22.77 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.924 -174.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -109.86 23.06 14.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 12.0 m-70 -145.38 -48.73 0.23 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.657 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.51 81.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 110.413 -178.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.43 124.2 20.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.7 177.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 107.55 -34.4 5.69 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.627 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -85.34 -53.67 5.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.097 0.475 . . . . 0.0 110.262 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -137.29 -155.65 7.02 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.869 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.16 -18.24 50.88 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.977 2.451 . . . . 0.0 112.253 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 64.46 91.6 0.08 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.45 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -58.22 119.37 16.8 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 175.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 9.6 ttt85 -101.73 120.81 40.95 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.157 0.503 . . . . 0.0 111.235 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.23 29.18 7.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.107 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -57.32 -42.37 81.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 114.968 -1.015 . . . . 0.0 111.296 -174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.15 -45.23 89.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.555 178.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.31 90.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.017 -179.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -63.19 -37.22 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.949 0.404 . . . . 0.0 110.581 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -63.02 -45.06 94.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.619 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 5.1 m -60.11 -43.03 95.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.751 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.495 HG23 ' CD1' ' A' ' 829' ' ' LEU . 50.4 mt -61.29 -57.35 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.116 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.534 HD21 HG23 ' A' ' 775' ' ' THR . 0.4 OUTLIER -55.17 -40.54 70.78 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.36 0.412 . . . . 0.0 110.987 -179.471 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 87.8 m -59.17 -41.45 88.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.877 0.37 . . . . 0.0 110.483 176.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.6 t -62.94 -46.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.738 177.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -42.97 99.58 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.126 0.489 . . . . 0.0 110.571 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -37.51 87.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.343 176.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -61.48 -47.44 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.395 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.572 HG23 ' HG2' ' A' ' 822' ' ' MET . 5.1 mt -58.98 -42.87 87.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.446 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -58.87 -39.05 80.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.092 0.473 . . . . 0.0 110.975 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 70.4 m -85.62 1.0 51.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.647 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 4.3 m -129.03 24.5 5.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.741 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 mmt -62.34 105.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.477 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 130.18 -36.2 2.37 Favored Glycine 0 N--CA 1.445 -0.767 0 N-CA-C 110.806 -0.918 . . . . 0.0 110.806 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -84.01 85.25 7.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 176.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 878' ' ' ALA . . . -52.17 -42.18 63.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.91 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -58.2 -45.91 93.47 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.644 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -71.75 -41.69 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.813 0.34 . . . . 0.0 110.247 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.572 ' HG2' HG23 ' A' ' 812' ' ' ILE . 37.0 mtp -58.67 -51.55 69.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.966 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 83.0 t -66.36 -36.36 77.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.467 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.26 -53.33 58.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.059 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.635 ' HA ' HD12 ' A' ' 828' ' ' ILE . 48.8 mm-40 -66.61 -41.55 88.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.731 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -59.42 -36.16 75.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.436 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -66.89 -39.52 87.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.969 0.414 . . . . 0.0 110.493 177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.5 mt -65.14 -41.23 91.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 174.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.802 ' HG ' HG23 ' A' ' 867' ' ' THR . 16.7 tp -57.41 -48.61 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.971 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.402 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -58.55 -40.4 82.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.927 0.394 . . . . 0.0 111.036 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -46.08 62.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.89 -47.0 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.692 -177.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 4.7 m -66.28 -31.35 72.11 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.147 -0.221 . . . . 0.0 111.466 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.4 m -59.69 -44.6 93.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.98 0.419 . . . . 0.0 110.038 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -65.24 -46.41 80.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.288 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 28.6 tp -56.66 -52.1 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.334 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.66 HG13 ' HB1' ' A' ' 860' ' ' ALA . 78.8 t -67.55 -40.51 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.162 -175.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -63.38 -38.69 92.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.922 0.391 . . . . 0.0 110.741 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.66 -48.21 80.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.766 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.665 HD13 HD11 ' A' ' 781' ' ' LEU . 11.6 mt -62.77 -44.54 99.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.51 178.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.795 ' HE2' HD22 ' A' ' 857' ' ' LEU . 0.0 OUTLIER -54.39 -47.02 73.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.98 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.8 -37.53 73.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.585 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -38.51 62.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.385 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.446 ' HB3' HD21 ' A' ' 857' ' ' LEU . . . -72.05 -29.22 63.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.909 0.385 . . . . 0.0 110.95 179.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.74 89.64 1.04 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 120.06 21.09 3.55 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.942 -175.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.76 164.54 23.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.942 0.401 . . . . 0.0 110.702 178.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 15.4 m -82.47 -34.07 28.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.993 179.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -108.3 115.03 29.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.894 175.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 35.4 mt -67.99 -35.41 78.3 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.147 -175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 6.1 tp10 -62.7 -49.5 74.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.231 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -62.15 -42.02 98.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.973 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.507 ' HA ' HD12 ' A' ' 856' ' ' LEU . 56.2 p -59.68 -37.86 79.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.737 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -46.55 79.05 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.315 178.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 12.4 mmtt -57.41 -38.8 74.9 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.665 0.745 . . . . 0.0 110.55 177.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 853' ' ' SER . 5.5 mt -55.94 -49.68 72.82 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.551 -177.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.795 HD22 ' HE2' ' A' ' 841' ' ' LYS . 2.3 mt -75.82 -23.71 55.8 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.823 -174.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.497 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.1 OUTLIER -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.719 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -62.58 -42.12 99.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.176 177.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.66 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -63.11 -34.41 77.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.636 176.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.26 -43.42 94.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.329 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 859' ' ' ALA . 16.1 mt -59.24 -45.43 93.01 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.124 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.059 175.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.6 OUTLIER -53.25 -53.2 54.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.657 177.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.45 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -67.52 -41.62 84.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.801 -176.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -66.24 -47.58 73.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.939 -177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.762 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.802 HG23 ' HG ' ' A' ' 829' ' ' LEU . 53.8 m -64.52 -40.9 96.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.84 177.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.37 -42.69 96.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.862 0.363 . . . . 0.0 110.048 176.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.35 -41.18 96.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.421 ' HE1' HD13 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -61.28 -50.75 71.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.693 178.33 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -38.55 82.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.695 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.5 OUTLIER -65.16 -46.65 79.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.936 0.398 . . . . 0.0 110.701 -179.739 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.43 -40.11 81.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.273 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -68.0 -43.09 79.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.151 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -35.8 77.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.639 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -72.91 -16.83 78.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 121.02 -0.609 . . . . 0.0 112.156 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.509 ' HA ' ' NE2' ' A' ' 762' ' ' GLN . . . -96.75 16.55 18.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.036 0.446 . . . . 0.0 110.337 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.428 ' HA ' ' CB ' ' A' ' 819' ' ' ALA . . . -107.79 -172.52 2.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.476 178.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -87.42 51.27 2.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.951 0.405 . . . . 0.0 111.063 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 881' ' ' PRO . 11.6 p80 -169.87 145.17 2.42 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.552 178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.529 ' HG2' ' HB3' ' A' ' 886' ' ' GLN . 3.0 Cg_exo -75.78 0.87 8.73 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 123.118 2.546 . . . . 0.0 111.368 176.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 75.57 -44.84 0.53 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.629 -178.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 10.9 m -72.33 126.75 30.61 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.58 171.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -83.26 55.86 3.31 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.19 0.519 . . . . 0.0 110.611 -177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . 0.555 ' HA ' ' OE1' ' A' ' 888' ' ' GLN . 1.2 mt-10 -143.56 43.55 1.5 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.494 177.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . 0.529 ' HB3' ' HG2' ' A' ' 881' ' ' PRO . 2.9 pt20 -80.27 -35.53 35.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.948 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -156.82 109.64 2.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.05 178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.555 ' OE1' ' HA ' ' A' ' 885' ' ' GLU . 10.6 mm100 -85.53 149.27 25.49 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.032 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.239 177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -122.65 105.46 10.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.075 0.464 . . . . 0.0 110.961 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -95.31 146.0 24.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.585 175.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 72.11 100.52 0.07 Allowed 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.914 0.759 . . . . 0.0 110.816 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . 0.503 ' HG3' ' H ' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -62.52 123.0 17.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.943 -178.379 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -82.38 53.33 2.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.168 0.509 . . . . 0.0 110.676 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -134.22 99.7 4.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.569 -178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -34.19 75.32 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.22 -1.46 44.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.052 -173.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -75.48 -72.6 0.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.958 -0.297 . . . . 0.0 110.521 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 66.63 -118.11 10.29 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.158 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 73.77 -49.07 0.68 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.647 0.779 . . . . 0.0 112.133 176.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.55 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.9 OUTLIER -57.32 -57.69 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.723 0.296 . . . . 0.0 111.657 -175.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -35.95 53.01 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.046 -178.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 765' ' ' ARG . 7.9 mtm180 -59.12 -45.69 90.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.053 178.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -89.83 -66.95 1.22 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.588 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.8 t -65.76 -44.88 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.402 0.144 . . . . 0.0 111.367 -175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.13 -53.39 42.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.467 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.19 98.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.696 0.284 . . . . 0.0 111.282 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -67.69 -40.42 84.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.19 -178.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -65.66 -44.63 85.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 8.6 m -60.99 -35.16 76.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.731 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.38 90.39 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.677 177.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.59 -44.63 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.376 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . 0.622 HG23 HD21 ' A' ' 806' ' ' LEU . 2.7 m -57.68 -47.09 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.938 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -68.05 -41.39 82.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.955 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.518 HD11 HG22 ' A' ' 802' ' ' THR . 6.8 tp -60.25 -45.09 94.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.432 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' ' 775' ' ' THR . 1.6 t-20 -57.87 -45.96 85.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.407 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -50.33 74.12 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.963 -178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.573 HD11 HD13 ' A' ' 840' ' ' ILE . 1.1 tp -61.44 -40.51 94.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.388 -0.823 . . . . 0.0 111.252 -178.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 782' ' ' LEU . 5.3 mt -57.55 -45.82 84.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.726 -177.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . 0.515 ' H ' ' HG2' ' A' ' 783' ' ' GLN . 0.0 OUTLIER -76.3 -33.3 59.06 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.021 177.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 855' ' ' LYS . 69.8 t60 -61.68 -42.52 99.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.241 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.408 ' CG1' ' HA3' ' A' ' 796' ' ' GLY . 72.4 t -68.5 -54.12 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.702 179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -67.56 -12.75 61.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.241 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -105.71 5.87 31.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -138.13 -49.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.603 -176.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -85.94 7.88 22.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 0.0 111.252 -176.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.56 166.39 12.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.796 -176.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 115.65 -147.94 18.91 Favored Glycine 0 N--CA 1.445 -0.761 0 N-CA-C 111.316 -0.714 . . . . 0.0 111.316 -178.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -104.88 130.92 52.93 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 116.42 -96.75 0.73 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.109 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -57.55 -78.99 0.02 OUTLIER 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 123.24 2.627 . . . . 0.0 112.775 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . 72.09 -46.62 0.65 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 124.16 0.984 . . . . 0.0 111.376 -178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . 0.408 ' HA3' ' CG1' ' A' ' 785' ' ' VAL . . . 72.17 75.19 0.7 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 121.241 -0.504 . . . . 0.0 112.071 178.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 797' ' ' ARG . 0.0 OUTLIER -115.3 110.2 19.06 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.218 0.532 . . . . 0.0 110.82 -179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.33 47.95 2.42 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.598 -0.889 . . . . 0.0 108.598 178.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -41.88 84.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.63 -171.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -66.9 -47.82 70.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.232 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.93 74.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.402 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.518 HG22 HD11 ' A' ' 778' ' ' LEU . 7.7 p -64.35 -39.48 93.96 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.101 0.476 . . . . 0.0 110.64 -179.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.2 -46.34 84.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.708 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 22.8 m -59.02 -46.51 88.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.669 178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.681 HG23 HD11 ' A' ' 829' ' ' LEU . 9.6 mt -57.56 -59.0 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.666 178.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.622 HD21 HG23 ' A' ' 775' ' ' THR . 1.5 mt -54.75 -48.44 72.61 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 123.634 0.584 . . . . 0.0 111.953 -176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 3.6 m -61.05 -39.46 89.9 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.682 0.277 . . . . 0.0 110.701 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . . . . . . . . . 3.2 t -63.98 -47.22 91.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.649 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.413 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -62.96 -41.11 99.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.172 0.51 . . . . 0.0 110.374 178.231 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -59.5 -39.24 83.17 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.468 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -69.86 -37.29 76.05 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.223 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . . . . . . . . . 4.9 mt -60.66 -33.69 55.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.503 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.74 -41.2 96.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.72 178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -37.72 64.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.107 0.48 . . . . 0.0 110.822 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 20.4 m -93.16 19.57 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.359 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.55 ' HG2' HD12 ' A' ' 763' ' ' LEU . 1.9 ttm -67.08 117.68 9.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.968 0.413 . . . . 0.0 110.722 -179.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 110.88 -15.55 28.64 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.894 -0.669 . . . . 0.0 111.869 -178.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -77.7 -22.06 51.02 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.132 0.492 . . . . 0.0 110.693 -179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . 69.11 -60.72 0.45 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.046 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -59.22 -54.41 38.15 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 121.539 -0.363 . . . . 0.0 112.927 -175.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.441 ' HA ' ' OE1' ' A' ' 821' ' ' GLU . 1.5 tp10 -62.98 -31.71 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 0.0 110.738 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . . . . . . . . . 44.7 mtp -66.09 -46.73 76.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.4 -43.35 94.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.369 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -52.46 65.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.515 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.702 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.4 OUTLIER -61.74 -43.61 98.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.768 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . 0.5 ' HB1' HG23 ' A' ' 871' ' ' VAL . . . -59.66 -36.28 76.11 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.812 0.339 . . . . 0.0 111.301 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -63.06 -38.72 92.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.045 0.45 . . . . 0.0 110.274 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.4 mt -70.97 -37.97 70.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.101 176.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.681 HD11 HG23 ' A' ' 805' ' ' ILE . 2.1 tp -55.97 -48.94 74.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.229 176.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -60.13 -42.44 94.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.894 178.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -63.03 -48.1 80.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.276 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.24 -47.09 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.429 -177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 3.3 m -67.13 -32.47 73.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.815 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 58.2 m -58.12 -41.76 84.31 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.171 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.03 -42.68 69.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.392 178.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 15.5 tp -58.08 -51.95 67.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.154 -179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.658 HG13 ' HB1' ' A' ' 860' ' ' ALA . 75.5 t -62.34 -41.4 91.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.018 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -62.02 -43.97 97.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.019 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.33 98.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.294 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.573 HD13 HD11 ' A' ' 781' ' ' LEU . 8.5 mt -66.81 -45.95 86.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.457 178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -45.82 88.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.409 -178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.96 89.34 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.601 -178.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.45 -37.73 31.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.874 0.368 . . . . 0.0 110.861 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -65.85 -18.42 65.32 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.021 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.46 57.25 0.53 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.312 0.577 . . . . 0.0 110.049 173.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 160.05 -85.15 0.12 Allowed Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 848' ' ' SER . 1.7 tm-20 66.24 -179.39 0.2 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 112.236 173.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . 0.52 ' H ' ' CD ' ' A' ' 847' ' ' GLU . 0.0 OUTLIER -90.92 -39.76 12.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.074 -0.967 . . . . 0.0 109.25 176.063 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -128.47 141.95 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.135 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.538 ' HA ' ' OG ' ' A' ' 853' ' ' SER . 0.4 OUTLIER -73.7 -20.48 60.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.855 0.359 . . . . 0.0 110.695 -178.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -64.69 -37.95 89.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.337 0.589 . . . . 0.0 109.513 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -72.58 -50.88 22.45 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.171 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.538 ' OG ' ' HA ' ' A' ' 850' ' ' LEU . 14.7 p -56.98 -51.99 67.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.707 -172.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.677 ' HA ' HD12 ' A' ' 857' ' ' LEU . 31.4 mtt180 -59.11 -46.57 87.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.938 -177.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.476 ' HB3' ' CE1' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -65.08 -35.03 79.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.115 0.483 . . . . 0.0 111.624 179.025 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.2 -36.64 84.73 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.857 -178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 854' ' ' ARG . 2.4 mt -68.76 -40.39 79.77 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 178.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.505 ' O ' HG13 ' A' ' 862' ' ' ILE . 0.6 OUTLIER -64.06 -43.4 95.6 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.555 177.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . . . . . . . . . . . -59.15 -45.23 91.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 178.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.658 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -67.9 -27.35 66.57 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.827 178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -37.31 83.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.421 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 858' ' ' SER . 3.0 mt -66.52 -38.03 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 175.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.6 OUTLIER -57.43 -52.91 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.51 178.3 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.55 81.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.232 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -51.35 36.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.38 93.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.31 -176.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 829' ' ' LEU . 8.1 m -64.39 -34.75 78.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.461 -179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -68.51 -42.51 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.259 176.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -60.2 -39.64 87.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.707 175.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.637 ' SD ' HD23 ' A' ' 829' ' ' LEU . 0.0 OUTLIER -65.26 -52.25 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.864 179.014 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.5 HG23 ' HB1' ' A' ' 826' ' ' ALA . 0.4 OUTLIER -63.1 -37.25 78.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.739 -178.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 1.1 tm-20 -69.59 -37.42 76.93 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.452 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -71.23 -44.33 65.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -62.22 -43.73 98.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.364 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 -37.91 65.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.798 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -68.08 -41.75 86.29 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.871 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -84.97 2.94 40.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.476 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -78.39 115.42 18.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.209 177.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -65.86 -30.87 71.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.034 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.38 83.31 32.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.462 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.26 108.02 1.51 Allowed 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.015 2.477 . . . . 0.0 111.667 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -78.25 62.07 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.504 0.668 . . . . 0.0 110.515 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 2.4 m -132.09 22.99 4.51 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.806 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . 0.453 ' H ' ' HG3' ' A' ' 884' ' ' GLU . 0.0 OUTLIER -84.95 175.99 8.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.467 -178.353 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -114.3 42.71 2.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 -175.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.38 75.36 3.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.577 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 55.61 44.26 26.89 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.645 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -82.54 46.69 1.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.199 0.523 . . . . 0.0 110.746 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.545 -0.741 . . . . 0.0 110.379 -178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.281 -0.328 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.38 141.18 38.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.896 0.379 . . . . 0.0 110.897 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -99.55 26.21 6.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.456 0.646 . . . . 0.0 110.06 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 66.89 87.25 0.12 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.904 176.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -121.12 16.54 11.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.589 174.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -85.21 47.76 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.12 -175.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -117.32 30.39 7.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.484 0.659 . . . . 0.0 109.353 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.486 ' HB ' ' HG3' ' A' ' 762' ' ' GLN . 0.0 OUTLIER -109.7 55.09 0.65 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.714 -175.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -71.71 -27.27 62.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.471 -179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.84 -40.65 56.46 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.71 176.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . 0.522 ' O ' ' HB2' ' A' ' 765' ' ' ARG . . . 163.18 88.55 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.855 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . 0.486 ' HG3' ' HB ' ' A' ' 758' ' ' THR . 0.4 OUTLIER -57.49 -31.95 66.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.809 -178.083 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.408 HD22 ' HB1' ' A' ' 877' ' ' ALA . 1.9 mm? -64.73 -63.69 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 177.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -31.2 70.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -175.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 761' ' ' GLY . 0.0 OUTLIER -73.59 -53.78 9.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.639 0.257 . . . . 0.0 110.661 179.18 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -75.2 -62.89 2.64 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.452 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.5 t -67.08 -44.64 88.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.668 0.271 . . . . 0.0 110.598 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.18 -50.84 59.61 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.652 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.73 -44.37 86.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.664 0.232 . . . . 0.0 110.816 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.16 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.222 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.19 -45.26 92.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 22.8 m -64.18 -35.74 81.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.552 177.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.69 92.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.867 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 99.3 t -61.11 -48.51 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 110.434 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 11.8 m -58.64 -41.6 86.37 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.198 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -68.76 -42.11 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.786 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.62 98.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.131 0.491 . . . . 0.0 110.296 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.541 HD11 HG22 ' A' ' 802' ' ' THR . 7.2 tp -65.51 -45.86 81.89 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.545 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -59.29 -38.69 80.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.515 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -58.68 -52.01 67.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.707 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.548 HD21 HD11 ' A' ' 840' ' ' ILE . 1.1 tp -72.37 -41.16 66.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.578 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 3.9 mt -53.76 -53.13 56.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.765 0.317 . . . . 0.0 111.529 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -67.72 -30.46 69.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.735 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.547 ' NE2' ' HB3' ' A' ' 855' ' ' LYS . 36.4 t60 -69.7 -40.05 76.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.559 -179.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 98.7 t -72.28 -43.74 64.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.412 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -63.78 -35.18 79.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.285 -178.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -90.21 9.48 28.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.713 -178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 5.7 m-70 -136.38 -125.11 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.539 -0.464 . . . . 0.0 111.83 -177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.505 ' H ' ' HB3' ' A' ' 788' ' ' HIS . . . 58.39 82.05 0.14 Allowed 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -170.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 -74.38 0.57 Allowed 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -165.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -78.02 -95.87 0.24 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.926 -0.654 . . . . 0.0 113.506 -171.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -77.42 75.22 3.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.244 0.545 . . . . 0.0 111.219 -177.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 134.78 101.42 0.69 Allowed Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.73 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.65 -10.63 20.23 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 123.125 2.55 . . . . 0.0 112.793 -177.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -163.68 64.9 0.17 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.105 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -75.78 64.11 2.67 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 23.3 mtp180 -92.44 124.71 36.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.301 0.572 . . . . 0.0 111.327 -174.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -94.29 48.58 1.24 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.355 -0.839 . . . . 0.0 108.926 176.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.5 -43.69 79.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.433 -1.258 . . . . 0.0 112.39 -170.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.41 -34.17 77.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.852 0.358 . . . . 0.0 111.026 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -73.88 -48.18 32.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.691 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.541 HG22 HD11 ' A' ' 778' ' ' LEU . 1.0 OUTLIER -63.21 -41.55 99.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -178.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -58.87 -46.15 88.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.514 177.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 86.1 m -59.8 -47.05 87.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.106 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.501 HG23 HD11 ' A' ' 829' ' ' LEU . 5.5 mt -57.59 -50.44 77.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.544 178.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.427 ' HG ' HD23 ' A' ' 778' ' ' LEU . 2.9 mt -56.04 -49.3 74.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.835 178.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 57.5 m -58.09 -47.04 84.43 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.111 0.257 . . . . 0.0 110.751 179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.755 HG13 ' HB3' ' A' ' 825' ' ' GLN . 12.3 t -62.23 -51.93 66.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.242 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.9 m -63.53 -42.47 98.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.049 0.452 . . . . 0.0 110.883 -179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -67.91 -28.09 67.2 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.281 178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' A' ' 808' ' ' VAL . 31.9 m-20 -64.42 -44.35 91.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.175 173.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.63 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.5 mt -64.28 -36.09 76.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.519 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -59.41 -30.06 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.259 0.552 . . . . 0.0 110.092 175.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 4.2 m -97.76 5.64 48.92 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.313 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.1 p -135.26 12.7 3.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.015 -178.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.587 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 0.4 OUTLIER -64.67 102.16 0.54 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.463 0.649 . . . . 0.0 110.812 -174.647 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 142.3 -40.17 1.31 Allowed Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.298 -1.121 . . . . 0.0 110.298 -176.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -83.24 108.52 16.52 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' A' ' 878' ' ' ALA . . . -61.96 -41.35 97.89 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.646 -175.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -62.22 -54.03 37.75 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.801 -0.714 . . . . 0.0 113.352 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -68.61 -37.41 79.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.939 0.37 . . . . 0.0 110.581 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.616 ' HG2' HG23 ' A' ' 812' ' ' ILE . 10.1 mtp -61.17 -48.45 81.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.789 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 25.0 t -64.91 -39.56 86.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.079 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.606 ' HA ' ' HD2' ' A' ' 827' ' ' ARG . 15.2 ttp180 -55.01 -57.4 11.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.66 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.796 ' HA ' HD12 ' A' ' 828' ' ' ILE . 72.0 mm-40 -61.8 -37.68 85.29 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.813 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.85 -33.62 68.85 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.701 0.286 . . . . 0.0 111.368 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.606 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 4.4 mtt180 -65.84 -46.84 77.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.045 0.45 . . . . 0.0 110.014 177.058 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 825' ' ' GLN . 4.3 mt -66.44 -37.32 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.731 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.755 ' HG ' HG23 ' A' ' 867' ' ' THR . 7.2 tp -56.98 -49.04 76.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.467 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 871' ' ' VAL . . . -61.8 -40.81 96.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.793 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -45.84 84.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.021 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -65.47 -49.4 69.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.424 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.6 m -65.74 -34.47 78.26 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.43 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 1.8 m -57.81 -42.37 84.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.96 0.41 . . . . 0.0 110.364 177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.82 -38.11 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.616 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 29.5 tp -59.7 -51.86 67.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.569 HG21 ' HB2' ' A' ' 864' ' ' ALA . 77.4 t -64.68 -40.82 90.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.558 -179.264 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -64.15 -40.73 96.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.42 177.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 843' ' ' ASP . . . -61.93 -44.32 97.02 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.333 179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.548 HD11 HD21 ' A' ' 781' ' ' LEU . 4.7 mt -63.07 -44.95 99.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.48 177.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -38.55 76.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.808 0.337 . . . . 0.0 111.097 179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.12 -46.75 27.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.957 0.408 . . . . 0.0 111.482 177.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 839' ' ' ALA . 0.2 OUTLIER -70.54 -44.7 66.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.675 -173.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 853' ' ' SER . . . -65.5 -27.07 68.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.321 -177.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -75.68 -17.14 60.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.843 0.354 . . . . 0.0 110.61 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -89.84 -28.64 17.93 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 174.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -57.54 142.53 44.15 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.938 0.399 . . . . 0.0 110.436 177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.56 -32.99 20.39 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.421 -175.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.27 105.42 13.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.981 0.42 . . . . 0.0 110.517 179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.422 ' HA ' ' OG ' ' A' ' 853' ' ' SER . 0.8 OUTLIER -68.33 -28.06 66.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.938 -175.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.447 ' O ' ' HD3' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -62.77 -44.9 94.98 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.436 ' O ' ' HG ' ' A' ' 856' ' ' LEU . 16.0 t30 -65.51 -48.22 73.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.529 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.986 ' HA ' HD12 ' A' ' 856' ' ' LEU . 97.8 p -64.1 -45.03 90.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.286 -175.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.434 ' HA ' HD12 ' A' ' 857' ' ' LEU . 0.0 OUTLIER -55.25 -46.63 76.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.312 0.577 . . . . 0.0 110.1 177.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.547 ' HB3' ' NE2' ' A' ' 784' ' ' HIS . 6.0 mptt -58.9 -41.34 86.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.094 177.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.986 HD12 ' HA ' ' A' ' 853' ' ' SER . 46.9 mt -59.07 -49.89 76.14 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.942 -179.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 853' ' ' SER . 0.7 OUTLIER -69.26 -33.11 72.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.872 -177.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 15.3 m -67.35 -39.65 85.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.714 177.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.564 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -70.19 -40.63 74.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.256 176.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . . . . . . . . . . . -62.04 -33.49 74.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.06 177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -60.87 -43.18 98.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.407 177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.1 mt -64.17 -42.68 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.853 176.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -51.95 -54.85 24.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.954 178.343 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.569 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.02 -47.94 82.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.745 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.93 -45.98 79.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.14 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.39 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.0 -179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.755 HG23 ' HG ' ' A' ' 829' ' ' LEU . 88.4 m -65.21 -36.36 83.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.024 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.422 ' HA ' ' HB ' ' A' ' 871' ' ' VAL . . . -71.64 -32.31 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.433 177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -63.02 -42.81 99.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -47.47 75.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.398 176.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 830' ' ' ALA . 2.2 t -54.71 -48.26 72.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.56 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.09 -40.62 90.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.848 179.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.55 -45.17 84.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.408 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.4 88.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -42.22 83.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.617 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -67.25 -47.42 64.14 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.406 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 763' ' ' LEU . . . -77.48 -1.55 30.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.708 0.289 . . . . 0.0 111.535 -176.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.738 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -72.54 -36.75 68.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 109.911 174.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -79.54 89.02 5.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.162 178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -170.09 161.9 6.6 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.51 -176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.13 107.23 0.91 Allowed 'Trans proline' 0 N--CA 1.463 -0.265 0 C-N-CA 122.417 2.078 . . . . 0.0 111.465 173.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -22.01 60.71 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.08 124.06 31.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.835 173.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.05 58.28 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.375 0.607 . . . . 0.0 110.325 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.44 65.51 0.88 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.106 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -118.33 -42.95 2.74 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 887' ' ' GLN . 0.0 OUTLIER -90.39 179.43 5.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.011 -0.995 . . . . 0.0 108.689 170.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -138.96 116.58 11.38 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.067 0.46 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.378 -178.781 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.3 31.58 18.83 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 122.934 0.494 . . . . 0.0 111.444 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -121.44 -5.86 9.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.024 0.44 . . . . 0.0 110.706 -178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.58 144.28 51.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.147 178.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . 0.428 ' H ' ' HG3' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -82.63 -17.67 43.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.309 178.354 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . 53.92 54.05 10.34 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.564 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . 61.39 -102.56 0.13 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.176 -174.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.35 28.58 7.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.057 0.456 . . . . 0.0 110.751 178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . 0.447 ' CD ' ' HE ' ' A' ' 765' ' ' ARG . 4.0 mm-40 -83.29 -27.33 29.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.699 178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.94 -163.52 0.26 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.652 0.595 . . . . 0.0 111.164 175.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -78.19 -82.65 0.61 Allowed Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 176.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 763' ' ' LEU . 0.3 OUTLIER -167.48 -36.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.927 0.394 . . . . 0.0 110.118 177.752 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.715 HD12 ' HG2' ' A' ' 816' ' ' MET . 0.4 OUTLIER -62.16 -53.75 50.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.849 -178.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . 0.401 ' HG ' ' SD ' ' A' ' 816' ' ' MET . 0.1 OUTLIER -75.3 -18.84 59.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.984 0.421 . . . . 0.0 110.935 -178.285 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.447 ' HE ' ' CD ' ' A' ' 759' ' ' GLU . 24.2 ttt-85 -71.01 -51.58 24.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.582 -179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -86.28 -59.58 1.83 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.612 -179.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.9 -39.41 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.472 0.177 . . . . 0.0 111.248 -175.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -57.1 -49.65 70.31 Favored Glycine 0 N--CA 1.454 -0.161 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.497 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -65.83 -44.83 84.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 0.0 110.974 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.82 -42.54 99.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.416 -178.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.93 -45.15 87.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 27.9 m -59.68 -34.7 73.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.083 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -58.13 -40.59 81.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.923 0.392 . . . . 0.0 110.708 177.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 76.7 t -69.79 -45.58 76.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.322 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.41 -41.89 81.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.063 0.459 . . . . 0.0 110.834 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -67.82 -46.63 71.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.83 98.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.669 HD23 ' HG ' ' A' ' 806' ' ' LEU . 6.4 tp -66.81 -44.1 82.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.024 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -59.88 -40.86 90.14 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.278 0.561 . . . . 0.0 109.842 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.73 -55.92 27.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.654 176.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 840' ' ' ILE . 1.3 tp -61.89 -42.58 99.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.587 -176.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.485 HD22 ' HE2' ' A' ' 786' ' ' LYS . 3.9 mt -57.88 -52.87 63.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.192 -178.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -66.75 -29.01 68.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.937 0.399 . . . . 0.0 110.49 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -69.19 -51.5 37.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.531 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.548 ' HA ' ' NE2' ' A' ' 788' ' ' HIS . 58.0 t -70.09 -24.58 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.821 -177.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . 0.485 ' HE2' HD22 ' A' ' 782' ' ' LEU . 0.7 OUTLIER -65.88 -2.64 4.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.882 0.373 . . . . 0.0 111.47 177.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -111.09 0.77 17.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.729 ' HE1' HD21 ' A' ' 856' ' ' LEU . 24.1 p80 -162.22 165.6 26.62 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.968 -173.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 173.87 105.66 0.01 OUTLIER 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.027 171.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 47.34 48.96 16.08 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 123.811 0.695 . . . . 0.0 111.934 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 117.93 -105.53 1.26 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.945 -176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -152.54 49.93 0.75 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.271 0.558 . . . . 0.0 110.553 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . -113.35 176.21 17.17 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.299 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -32.43 110.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 1 C-N-CA 125.328 4.019 . . . . 0.0 113.703 175.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -76.84 56.88 1.23 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.727 -1.124 . . . . 0.0 111.658 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -110.01 76.65 0.22 Allowed Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 174.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.15 -76.84 0.53 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.751 0.31 . . . . 0.0 111.479 -173.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.443 ' CE2' HG13 ' A' ' 840' ' ' ILE . 0.0 OUTLIER -128.74 49.65 2.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.964 0.412 . . . . 0.0 110.427 -175.238 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.21 -38.97 78.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.19 -179.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -71.23 -42.87 68.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.517 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -60.14 -46.65 88.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.171 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . . . . . . . . . 4.0 p -64.01 -40.71 96.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 0.0 110.453 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -56.73 -43.03 80.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.444 176.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 15.4 m -59.43 -46.42 88.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.677 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 829' ' ' LEU . 5.5 mt -61.28 -54.75 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.669 ' HG ' HD23 ' A' ' 778' ' ' LEU . 1.7 mt -52.04 -49.24 63.83 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.43 0.457 . . . . 0.0 111.118 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 9.3 m -61.82 -35.85 79.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.484 HG11 ' HB2' ' A' ' 829' ' ' LEU . 2.2 t -65.82 -47.4 85.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.565 177.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.79 90.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.039 0.447 . . . . 0.0 110.4 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -35.95 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.984 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -60.6 -45.69 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.213 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.738 HG23 ' HG2' ' A' ' 822' ' ' MET . 5.4 mt -65.08 -35.33 75.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.555 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -62.85 -27.31 69.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.023 0.439 . . . . 0.0 110.411 176.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 3.9 m -91.06 -28.64 17.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.817 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.619 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 56.7 p -95.96 13.26 27.54 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.805 -177.19 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.715 ' HG2' HD12 ' A' ' 763' ' ' LEU . 5.9 ttm -64.33 98.2 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.257 0.551 . . . . 0.0 110.633 -177.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 123.6 -20.64 7.31 Favored Glycine 0 N--CA 1.442 -0.955 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.684 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.33 -14.25 59.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.224 0.535 . . . . 0.0 110.606 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . 66.96 -72.48 0.09 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.528 -1.215 . . . . 0.0 112.771 176.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -56.18 -53.4 43.01 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 121.677 -0.297 . . . . 0.0 113.108 -174.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -60.57 -36.69 79.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.882 0.372 . . . . 0.0 110.954 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.738 ' HG2' HG23 ' A' ' 812' ' ' ILE . 6.6 mtp -59.99 -51.48 69.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.393 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.51 -36.92 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.501 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 8.0 ttm105 -57.71 -55.97 27.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.791 ' HA ' HD12 ' A' ' 828' ' ' ILE . 59.3 mm-40 -64.61 -35.96 82.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.57 -36.8 79.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.8 0.333 . . . . 0.0 110.941 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 12.3 mtp-105 -68.03 -39.85 83.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.283 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.9 mt -65.61 -37.72 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.974 175.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.669 ' HG ' HG23 ' A' ' 867' ' ' THR . 11.1 tp -57.75 -49.03 77.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.057 176.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.492 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -59.91 -39.3 84.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.816 179.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.85 -44.61 89.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.089 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -68.83 -50.23 51.81 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.638 -176.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.515 ' HA ' ' HB3' ' A' ' 836' ' ' LEU . 2.6 m -65.39 -32.09 73.53 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -176.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 69.8 m -59.94 -38.19 81.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.181 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -80.16 -36.21 35.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.373 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.526 ' O ' HD12 ' A' ' 840' ' ' ILE . 16.6 tp -61.25 -52.2 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.983 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.633 HG13 ' HB1' ' A' ' 860' ' ' ALA . 60.1 t -62.4 -38.08 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.818 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -65.74 -40.23 91.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.572 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -65.26 -34.55 78.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.919 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.733 HD11 HD21 ' A' ' 781' ' ' LEU . 0.8 OUTLIER -65.2 -43.97 95.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.944 175.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -60.8 -32.78 72.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.62 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.34 -45.64 72.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.138 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -73.66 -43.31 59.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.635 0.255 . . . . 0.0 110.974 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -56.53 -39.78 73.95 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.98 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -77.35 91.42 3.84 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 126.86 -9.77 7.12 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 853' ' ' SER . 7.7 tp10 -63.58 131.52 48.32 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 175.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 4.0 m -67.33 -41.9 84.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.71 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 9.1 t70 -78.72 109.48 12.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.75 -22.17 60.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.035 -173.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.597 ' O ' ' HG2' ' A' ' 855' ' ' LYS . 0.0 OUTLIER -78.35 -47.31 17.99 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.061 175.389 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 1.0 OUTLIER -63.28 -35.59 80.88 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.889 179.596 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.518 ' HB3' ' HB3' ' A' ' 847' ' ' GLU . 97.0 p -59.47 -40.33 86.6 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 177.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -64.02 -46.33 84.96 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.221 176.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 851' ' ' GLU . 14.7 mmtp -54.57 -39.05 67.39 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-O 121.717 0.77 . . . . 0.0 110.46 179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.729 HD21 ' HE1' ' A' ' 788' ' ' HIS . 2.5 mt -55.03 -49.91 70.39 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.884 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.56 -24.87 56.72 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.957 -1.019 . . . . 0.0 111.61 -177.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.86 -46.3 68.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.038 0.447 . . . . 0.0 110.264 175.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.41 -40.59 97.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.435 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.633 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -66.52 -30.94 71.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.862 177.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 5.3 tttm -63.16 -37.44 87.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.414 177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 859' ' ' ALA . 4.7 mt -72.2 -40.63 66.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.082 175.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.512 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -53.36 -57.02 12.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.096 178.587 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.61 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.28 -43.72 98.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.366 -177.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -64.63 -47.72 77.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.446 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.44 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.029 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.669 HG23 ' HG ' ' A' ' 829' ' ' LEU . 93.9 m -61.8 -39.29 91.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.234 179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.56 -39.68 91.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 110.275 178.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.02 -39.43 93.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.158 177.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.533 ' HE3' HG21 ' A' ' 812' ' ' ILE . 0.0 OUTLIER -60.94 -49.22 78.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.636 177.759 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.13 -37.81 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.8 OUTLIER -67.84 -48.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.222 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.17 90.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.184 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.69 72.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.886 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.39 77.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -71.97 -44.48 45.93 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.826 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -71.44 -36.21 71.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.512 -0.404 . . . . 0.0 110.629 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -85.94 15.54 4.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.178 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -66.55 -29.26 69.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.094 177.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -106.71 102.17 40.45 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.561 174.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.08 56.66 5.51 Favored 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.44 2.093 . . . . 0.0 110.566 173.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.58 -16.07 56.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.629 -176.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.37 152.89 44.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.974 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -83.28 52.28 2.17 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.894 0.378 . . . . 0.0 111.601 -173.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.57 75.92 5.08 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 58.21 35.41 24.98 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.874 -177.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -80.75 -27.31 36.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.444 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -86.93 136.85 32.79 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.592 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.016 -177.586 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.85 134.43 52.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.524 0.202 . . . . 0.0 110.474 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -70.97 100.83 2.05 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 176.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.99 120.38 7.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.269 -172.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -90.89 150.72 21.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 173.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -59.47 -41.74 90.47 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 122.983 0.177 . . . . 0.0 111.26 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . 74.76 -50.38 0.67 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.922 0.763 . . . . 0.0 110.404 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.47 56.71 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 170.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -55.12 132.51 47.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.081 -0.963 . . . . 0.0 111.633 -174.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.19 -55.25 0.76 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.146 -177.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -154.48 66.94 0.31 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.245 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.4 34.08 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.726 0.298 . . . . 0.0 110.54 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.402 ' O ' ' HB ' ' A' ' 767' ' ' VAL . 1.0 OUTLIER -56.79 -55.43 34.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.537 -176.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 68.0 mt -96.6 -35.04 11.2 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.76 0.314 . . . . 0.0 110.343 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -46.06 90.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.048 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -95.82 -63.14 0.96 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.512 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 763' ' ' LEU . 2.4 t -61.09 -42.99 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 111.443 0.164 . . . . 0.0 111.443 -176.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.67 -56.45 24.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.579 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.89 95.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.921 0.391 . . . . 0.0 111.207 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . 0.537 ' HB1' ' HA ' ' A' ' 870' ' ' MET . . . -64.64 -43.5 93.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.389 -178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.96 95.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.857 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 38.0 m -60.39 -43.1 96.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.555 176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -57.44 -44.86 85.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.196 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 88.4 t -63.74 -48.83 84.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.86 178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 4.6 m -59.41 -38.29 80.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -67.54 -47.02 71.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.624 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . 0.434 ' HB1' HD22 ' A' ' 863' ' ' LEU . . . -61.39 -45.43 94.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.572 HD11 ' HA ' ' A' ' 802' ' ' THR . 7.2 tp -63.96 -43.16 96.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.25 -44.76 96.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.004 0.43 . . . . 0.0 110.095 178.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.76 -51.35 70.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.495 178.619 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.694 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.205 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 786' ' ' LYS . 4.3 mt -56.64 -46.03 81.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.705 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.17 -38.7 85.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.108 0.48 . . . . 0.0 110.19 178.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 788' ' ' HIS . 0.1 OUTLIER -63.14 -44.96 94.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.168 -178.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 88.6 t -73.62 -39.03 53.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 782' ' ' LEU . 0.0 OUTLIER -63.53 -38.98 93.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.736 0.303 . . . . 0.0 111.245 -179.5 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -82.48 -12.87 57.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.912 0.387 . . . . 0.0 111.133 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 33.0 m-70 -123.89 -128.42 0.25 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.729 -178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . 52.32 63.28 2.3 Favored 'General case' 0 CA--C 1.515 -0.383 0 O-C-N 123.635 0.584 . . . . 0.0 110.559 -177.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.66 59.84 4.35 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.405 0.621 . . . . 0.0 111.378 -173.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . -149.86 106.76 0.33 Allowed Glycine 0 N--CA 1.44 -1.06 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.96 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -71.09 81.14 0.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.94 0.4 . . . . 0.0 110.747 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . . . . . . . . . . . 172.99 -89.48 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.649 179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.94 44.49 1.73 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 123.099 2.532 . . . . 0.0 113.415 -174.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -125.03 -88.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.749 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 59.53 28.63 65.32 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.11 24.57 0.27 Allowed 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.04 0.936 . . . . 0.0 112.507 -176.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 45.21 54.73 6.93 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.322 0.582 . . . . 0.0 110.228 -178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.55 -46.58 73.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.746 -1.116 . . . . 0.0 112.602 -171.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 29.1 tp60 -74.2 -43.19 58.15 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.049 -0.26 . . . . 0.0 110.884 -177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 805' ' ' ILE . . . -58.55 -51.03 71.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.572 ' HA ' HD11 ' A' ' 778' ' ' LEU . 15.5 p -63.95 -42.98 97.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.737 -178.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.85 -46.44 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.959 178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 27.6 m -59.0 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.591 HG23 HD11 ' A' ' 829' ' ' LEU . 3.3 mt -57.1 -57.38 10.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.823 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -47.08 74.91 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.28 0.362 . . . . 0.0 111.513 -177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 13.6 m -59.41 -34.62 72.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.719 0.295 . . . . 0.0 110.845 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.65 HG11 ' HB2' ' A' ' 829' ' ' LEU . 40.2 t -74.37 -46.72 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.174 179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.78 -43.3 99.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.144 0.497 . . . . 0.0 110.022 178.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.51 -37.09 85.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.834 175.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -61.05 -47.51 86.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.772 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.644 ' HA ' ' OG ' ' A' ' 815' ' ' SER . 3.4 mt -66.1 -36.94 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.664 0.268 . . . . 0.0 110.822 -178.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.45 -30.75 68.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.154 0.502 . . . . 0.0 110.293 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 2.8 m -88.11 -34.86 17.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.077 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . 0.644 ' OG ' ' HA ' ' A' ' 812' ' ' ILE . 19.5 p -83.48 -2.25 55.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.07 -178.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.595 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 1.6 mtt -47.31 108.21 0.14 Allowed 'General case' 0 N--CA 1.462 0.165 0 O-C-N 123.618 0.574 . . . . 0.0 110.585 178.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 131.37 -44.73 1.18 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . 0.481 ' OD2' ' HB2' ' A' ' 821' ' ' GLU . 37.7 t70 -87.59 95.53 10.08 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -56.0 -39.71 72.28 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.439 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -55.62 -55.52 28.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.012 -0.613 . . . . 0.0 112.669 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.481 ' HB2' ' OD2' ' A' ' 818' ' ' ASP . 6.7 tp10 -64.69 -42.31 95.42 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.651 0.263 . . . . 0.0 110.885 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.595 ' SD ' ' HA ' ' A' ' 816' ' ' MET . 15.2 mtp -56.69 -46.24 81.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.007 -178.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.607 HG22 ' HA ' ' A' ' 875' ' ' LYS . 80.8 t -69.27 -41.35 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.348 . . . . 0.0 110.491 178.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.466 ' HD2' ' OE2' ' A' ' 821' ' ' GLU . 0.3 OUTLIER -58.24 -54.3 48.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.869 179.539 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.96 ' HA ' HD12 ' A' ' 828' ' ' ILE . 48.2 mm-40 -64.59 -33.63 76.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -57.49 -38.34 74.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.826 0.346 . . . . 0.0 111.197 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.424 ' HD2' ' HA ' ' A' ' 824' ' ' ARG . 20.3 mtt-85 -68.0 -38.64 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.284 0.564 . . . . 0.0 110.194 178.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.96 HD12 ' HA ' ' A' ' 825' ' ' GLN . 12.2 mt -63.81 -37.91 80.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.921 176.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.65 ' HB2' HG11 ' A' ' 808' ' ' VAL . 3.8 tp -61.12 -49.05 78.84 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.167 175.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.28 82.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.284 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.16 -43.43 98.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.041 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -63.88 -50.04 70.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.373 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 1.8 m -65.72 -31.69 72.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.613 -179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 68.8 m -61.56 -38.55 87.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.529 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -77.11 -39.65 48.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.454 HD22 HD13 ' A' ' 805' ' ' ILE . 15.2 tp -59.94 -52.1 66.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.981 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.51 HG21 ' HB2' ' A' ' 864' ' ' ALA . 48.1 t -62.5 -43.66 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -176.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -63.69 -35.87 81.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.072 -178.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.8 -49.43 75.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.965 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.694 HD13 HD11 ' A' ' 781' ' ' LEU . 3.1 mt -67.98 -36.79 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.549 178.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.917 ' HE2' HD22 ' A' ' 857' ' ' LEU . 0.0 OUTLIER -57.85 -39.17 77.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.687 179.097 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.03 -46.33 29.85 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.073 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -60.47 -48.6 81.07 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.176 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.668 ' HB3' HD21 ' A' ' 857' ' ' LEU . . . -63.6 -18.64 64.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.202 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 841' ' ' LYS . 79.5 mm-40 -71.94 -25.91 62.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.921 0.391 . . . . 0.0 110.533 177.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -86.84 -18.4 58.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.801 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.803 ' HG2' HD22 ' A' ' 852' ' ' ASN . 2.7 tp10 -72.24 120.38 17.76 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 1.1 m -72.0 -22.93 61.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.055 0.455 . . . . 0.0 110.724 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -73.22 96.62 2.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.307 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 850' ' ' LEU . 0.3 OUTLIER -73.88 -23.17 59.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.165 -176.672 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . 0.66 ' O ' ' HD2' ' A' ' 855' ' ' LYS . 1.8 mm-40 -66.22 -49.92 65.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.803 HD22 ' HG2' ' A' ' 847' ' ' GLU . 1.0 OUTLIER -64.63 -47.54 78.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.683 178.133 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 57.0 p -59.8 -44.63 93.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.978 -175.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . 0.412 ' NH1' ' HA ' ' A' ' 851' ' ' GLU . 10.1 mtp-105 -59.23 -45.48 91.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.665 -0.243 . . . . 0.0 110.931 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.66 ' HD2' ' O ' ' A' ' 851' ' ' GLU . 6.8 mttp -58.41 -42.91 88.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.419 0.628 . . . . 0.0 110.138 176.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 856' ' ' LEU . 11.0 mt -60.59 -49.84 75.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.912 -177.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.917 HD22 ' HE2' ' A' ' 841' ' ' LYS . 3.0 mt -76.05 -29.28 57.97 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.835 -175.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.459 ' O ' HG13 ' A' ' 862' ' ' ILE . 13.2 m -72.53 -31.95 65.72 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 174.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.497 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -69.44 -44.05 72.08 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.882 174.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.504 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -61.33 -32.2 72.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.47 175.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -40.06 87.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.407 176.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 859' ' ' ALA . 1.7 mt -73.38 -36.83 49.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.366 177.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 863' ' ' LEU . 0.4 OUTLIER -52.19 -56.49 14.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.713 178.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -68.49 -40.95 80.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.171 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -58.6 -52.44 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.097 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -61.78 -36.52 81.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.556 HG23 ' HG ' ' A' ' 829' ' ' LEU . 43.9 m -68.66 -34.25 75.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.246 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -68.36 -41.89 79.98 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.193 176.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -40.48 94.24 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.631 ' SD ' HD23 ' A' ' 829' ' ' LEU . 0.0 OUTLIER -62.59 -52.28 64.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.032 178.092 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -35.4 72.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -177.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -72.65 -42.38 64.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.43 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.85 81.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.571 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.88 98.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.245 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.607 ' HA ' HG22 ' A' ' 823' ' ' VAL . 11.7 mtmt -69.96 -39.62 75.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.586 178.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -66.0 -38.42 94.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.78 -178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -84.62 10.43 11.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -70.38 -58.17 4.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.681 0.277 . . . . 0.0 111.08 178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -168.61 -52.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.22 0.534 . . . . 0.0 110.227 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -163.84 130.55 2.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.599 179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.99 64.08 4.1 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.464 2.109 . . . . 0.0 111.571 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.32 49.7 1.18 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.775 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -171.93 1.96 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.527 -176.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . 0.478 ' H ' ' HG3' ' A' ' 884' ' ' GLU . 0.3 OUTLIER -64.68 145.39 56.27 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 175.16 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.31 153.78 51.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.54 -174.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 71.34 -58.05 0.59 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.161 -0.927 . . . . 0.0 112.814 173.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -81.66 104.34 12.0 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.778 0.323 . . . . 0.0 110.319 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -141.87 91.16 2.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.997 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.02 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -50.94 64.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.147 0.498 . . . . 0.0 110.222 177.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -114.86 -48.38 2.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.384 176.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -159.83 -151.32 0.25 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.428 179.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -120.41 57.55 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.168 0.508 . . . . 0.0 109.712 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -104.47 -64.68 1.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.72 -176.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -90.45 -4.65 56.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.924 -179.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 760' ' ' ASP . 6.5 m 73.37 -54.69 0.69 Allowed 'General case' 0 C--O 1.236 0.366 0 C-N-CA 123.393 0.677 . . . . 0.0 111.769 178.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 61.46 46.99 7.04 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.364 0.602 . . . . 0.0 110.776 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . 0.486 ' HB2' HG22 ' A' ' 758' ' ' THR . 2.9 t70 -116.18 -160.07 0.74 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.574 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . -81.71 57.01 4.94 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 121.387 -0.435 . . . . 0.0 112.051 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -67.74 -20.12 65.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.707 0.289 . . . . 0.0 110.931 -177.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.447 HD12 ' SD ' ' A' ' 816' ' ' MET . 1.2 mm? -56.83 -47.48 80.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.315 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.92 -35.47 22.09 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.545 -178.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.33 -47.27 80.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.148 -178.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -94.57 -64.4 1.01 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.516 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . 0.437 ' H ' HG23 ' A' ' 767' ' ' VAL . 1.3 t -63.37 -44.56 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.577 0.227 . . . . 0.0 111.109 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -56.45 -49.66 67.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.42 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.95 90.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.804 0.335 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.5 96.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . 0.581 ' HB1' HG22 ' A' ' 809' ' ' THR . . . -63.85 -42.33 97.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.037 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 9.8 m -65.28 -33.89 77.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.607 178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.95 96.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.75 176.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 32.6 t -66.66 -46.38 86.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 0.0 110.358 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . 0.68 HG23 HD21 ' A' ' 806' ' ' LEU . 21.7 m -56.05 -40.93 74.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.115 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -74.07 -42.47 60.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.079 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -60.33 -45.5 93.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.955 0.407 . . . . 0.0 110.981 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.514 HD13 HG21 ' A' ' 805' ' ' ILE . 2.5 tp -62.67 -39.14 92.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.748 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.06 -40.03 88.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.396 179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -64.88 -51.77 60.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.016 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.539 HD21 HD11 ' A' ' 840' ' ' ILE . 1.8 tp -64.04 -40.67 96.82 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.439 -176.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 5.2 mt -54.95 -55.39 31.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.73 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -66.98 -31.7 72.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.963 0.411 . . . . 0.0 110.599 -179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.534 ' NE2' ' HB3' ' A' ' 855' ' ' LYS . 49.0 t60 -70.78 -34.87 72.25 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.281 -177.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.447 HG11 ' CE1' ' A' ' 798' ' ' TYR . 53.1 t -78.93 -46.96 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.788 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 8.4 mtmt -58.27 -31.18 67.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.707 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -97.17 7.4 46.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.697 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -147.93 -119.11 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 121.245 -0.182 . . . . 0.0 111.033 -178.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.403 ' HB1' ' CB ' ' A' ' 795' ' ' ALA . . . 62.38 -167.08 0.21 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.506 0.504 . . . . 0.0 111.322 -178.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 19.4 p -84.67 -28.21 26.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.167 0.508 . . . . 0.0 110.959 175.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 98.77 -74.13 0.55 Allowed Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -118.01 105.8 12.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.01 0.433 . . . . 0.0 110.478 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.412 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . 162.1 -127.86 1.79 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.998 -0.62 . . . . 0.0 111.927 -178.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.412 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 7.8 Cg_exo -72.73 -16.02 26.71 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.035 2.49 . . . . 0.0 112.172 179.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.411 ' HB2' ' CG ' ' A' ' 843' ' ' ASP . . . -78.63 -86.68 0.06 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.336 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 69.72 -106.27 1.77 Allowed Glycine 0 N--CA 1.443 -0.898 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -170.97 99.44 0.22 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 177.278 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.447 ' CE1' HG11 ' A' ' 785' ' ' VAL . 0.0 OUTLIER -78.48 41.3 0.39 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.541 179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -27.68 67.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.741 -176.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -40.92 51.77 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.46 79.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.671 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.476 HG22 HD11 ' A' ' 778' ' ' LEU . 4.8 p -63.6 -39.78 95.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.349 178.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -63.11 -41.26 99.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.421 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . 0.422 ' O ' HG23 ' A' ' 808' ' ' VAL . 24.5 m -59.07 -44.93 91.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.21 -0.292 . . . . 0.0 110.21 177.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.514 HG21 HD13 ' A' ' 778' ' ' LEU . 5.2 mt -58.27 -53.21 49.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.351 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.68 HD21 HG23 ' A' ' 775' ' ' THR . 2.4 mt -56.46 -40.04 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 179.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 16.6 m -64.8 -34.23 77.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.712 0.291 . . . . 0.0 110.733 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.687 HG11 ' HB2' ' A' ' 829' ' ' LEU . 46.4 t -71.67 -50.51 38.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.052 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . 0.581 HG22 ' HB1' ' A' ' 771' ' ' ALA . 0.2 OUTLIER -60.07 -42.74 95.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.426 . . . . 0.0 110.533 177.501 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.03 -35.98 82.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.305 175.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . 0.446 ' HB3' ' HG3' ' A' ' 825' ' ' GLN . 0.9 OUTLIER -58.4 -50.38 73.87 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.277 176.64 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.523 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.2 mt -59.04 -36.35 61.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.377 179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -63.91 -36.53 84.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.698 177.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 8.6 m -78.13 -38.29 44.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.023 0.44 . . . . 0.0 110.92 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.5 m -93.37 28.6 2.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.371 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.447 ' SD ' HD12 ' A' ' 763' ' ' LEU . 0.0 OUTLIER -63.19 95.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.586 178.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 138.54 -18.94 3.21 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.79 -177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -99.3 89.99 4.4 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 174.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.92 71.9 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.691 -174.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -64.03 -50.54 59.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.317 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.58 -37.45 87.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.55 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.523 ' HG2' HG23 ' A' ' 812' ' ' ILE . 32.6 mtp -63.05 -48.78 77.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.554 178.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.474 HG22 ' HG3' ' A' ' 875' ' ' LYS . 30.4 t -59.45 -45.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.366 178.074 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -47.31 86.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.577 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.736 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.0 OUTLIER -61.23 -46.85 88.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.101 179.097 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.15 -31.13 69.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.357 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -71.57 -34.93 70.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.874 0.368 . . . . 0.0 110.351 177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 825' ' ' GLN . 8.1 mt -65.79 -40.48 87.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 173.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.687 ' HB2' HG11 ' A' ' 808' ' ' VAL . 8.7 tp -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.289 175.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.551 ' HA ' HG21 ' A' ' 867' ' ' THR . . . -56.66 -44.92 81.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.14 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -63.63 -44.98 92.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.003 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -64.95 -49.59 69.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.64 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 2.4 m -65.21 -36.92 85.69 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 67.8 m -57.92 -38.4 75.81 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.127 0.489 . . . . 0.0 110.479 178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -70.56 -46.95 62.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.277 176.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 840' ' ' ILE . 31.4 tp -56.02 -51.9 66.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.372 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.615 HG13 ' HB1' ' A' ' 860' ' ' ALA . 78.6 t -59.94 -37.56 72.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.435 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -66.02 -39.23 90.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.705 0.288 . . . . 0.0 110.891 -178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -59.48 -47.27 86.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.865 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.539 HD11 HD21 ' A' ' 781' ' ' LEU . 3.6 mt -65.74 -38.92 83.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.681 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.449 ' HA ' ' CD2' ' A' ' 857' ' ' LEU . 0.1 OUTLIER -60.16 -39.25 85.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.872 178.729 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.11 -37.98 57.44 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.346 177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.411 ' CG ' ' HB2' ' A' ' 795' ' ' ALA . 11.2 t70 -69.11 -49.89 53.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.896 -176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -61.78 -18.59 60.46 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.666 -177.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -62.62 -35.14 78.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.569 177.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -123.22 48.09 0.98 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.522 -176.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . 0.459 ' CD ' HD22 ' A' ' 852' ' ' ASN . 0.0 OUTLIER -99.87 -179.79 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 -178.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -111.02 56.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.967 0.413 . . . . 0.0 111.572 -175.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.475 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 3.9 t70 -172.31 -161.85 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.85 -51.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -70.92 -34.78 71.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.813 178.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.475 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 42.6 t30 -64.43 -41.54 96.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.141 176.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.56 -44.74 85.83 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.155 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -59.12 -45.03 91.96 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.53 -43.95 72.38 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.835 175.045 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.402 HD22 HG23 ' A' ' 840' ' ' ILE . 5.2 mt -60.87 -50.08 74.89 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.366 -176.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.449 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 2.3 mt -75.68 -23.75 56.23 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.278 -176.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.486 ' O ' HG13 ' A' ' 862' ' ' ILE . 29.5 m -68.37 -46.19 70.74 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 172.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -63.87 -42.31 97.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.715 178.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.615 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -60.86 -36.5 79.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.71 177.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -42.26 99.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.386 177.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 859' ' ' ALA . 14.9 mt -62.61 -42.66 96.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.413 177.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.477 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.5 OUTLIER -53.13 -50.26 64.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.409 178.249 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . . . . . . . . . . . -66.89 -45.72 77.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.653 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -62.96 -46.65 86.73 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.986 -178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.02 81.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.993 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.616 HG23 ' HG ' ' A' ' 829' ' ' LEU . 89.4 m -67.44 -39.36 85.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -64.28 -42.3 96.49 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 175.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 3.4 mtmm -58.32 -43.41 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.22 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -49.01 75.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.081 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -37.99 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.502 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -68.9 -41.71 77.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.669 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.19 -44.82 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.114 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.38 98.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.064 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.474 ' HG3' HG22 ' A' ' 823' ' ' VAL . 0.4 OUTLIER -71.9 -28.21 63.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.713 179.377 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -75.87 -24.9 68.3 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.353 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -86.2 1.34 51.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.846 0.355 . . . . 0.0 111.087 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . . . . . . . . . . . -78.75 83.6 4.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.006 0.431 . . . . 0.0 110.384 178.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -70.88 108.4 4.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.899 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -135.63 81.12 42.47 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.662 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -88.04 38.87 0.5 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.082 2.522 . . . . 0.0 112.471 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -90.67 10.91 23.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.055 0.455 . . . . 0.0 110.618 -178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.92 76.54 4.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.148 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.05 -59.1 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 177.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.55 27.77 16.11 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.877 173.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -109.34 -32.29 7.23 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 173.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.81 58.42 0.69 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.693 175.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.511 ' H ' ' HG3' ' A' ' 888' ' ' GLN . 0.0 OUTLIER -105.65 -34.56 7.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.637 -177.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.851 -179.239 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 111.758 -0.537 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -98.81 -49.06 4.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.9 0.381 . . . . 0.0 110.165 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . 0.494 ' HB3' ' HG3' ' A' ' 755' ' ' GLN . 0.0 OUTLIER -178.04 147.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.458 -178.782 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 8.0 tpp -85.11 71.88 10.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.168 0.509 . . . . 0.0 110.484 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . 0.494 ' HG3' ' HB3' ' A' ' 753' ' ' HIS . 0.0 OUTLIER -107.21 -55.9 2.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.402 178.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -112.04 33.76 4.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.317 0.579 . . . . 0.0 110.217 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -139.05 28.88 2.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.276 -178.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.94 -4.89 18.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.34 -177.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.26 -173.64 2.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.85 176.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -85.93 63.18 7.89 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.244 0.545 . . . . 0.0 110.489 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 65.87 46.46 82.14 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.234 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -59.94 -28.66 67.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.641 0.258 . . . . 0.0 111.684 -175.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -39.56 92.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.637 178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 1.2 mp -84.34 -34.47 23.65 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.867 0.365 . . . . 0.0 110.377 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 765' ' ' ARG . 5.1 mmm180 -62.21 -51.11 69.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.784 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -89.16 -66.91 1.25 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.522 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . . . . . . . . . 1.8 t -61.8 -45.87 97.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.359 0.123 . . . . 0.0 111.256 -175.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -53.45 -48.43 60.29 Favored Glycine 0 CA--C 1.518 0.242 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.589 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -66.92 -46.55 74.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.767 0.318 . . . . 0.0 111.056 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.96 95.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.305 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' ' 870' ' ' MET . . . -63.41 -46.79 84.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.667 179.185 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 24.5 m -61.09 -29.99 70.08 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.003 179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -64.56 -36.33 83.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.329 177.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . . . . . . . . . 68.6 t -71.65 -46.38 62.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.385 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -43.05 78.84 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.008 0.432 . . . . 0.0 110.719 176.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -65.08 -49.29 70.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.85 178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.11 99.66 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.458 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.606 HD11 ' HA ' ' A' ' 802' ' ' THR . 1.3 tp -61.13 -48.08 83.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -66.7 -34.45 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.63 -179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -60.7 -54.67 42.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.207 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.602 HD11 HD13 ' A' ' 840' ' ' ILE . 1.6 tp -62.22 -40.12 95.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.69 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . . . . . . . . . 12.3 mt -57.3 -54.6 44.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.625 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.58 -39.85 77.69 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.508 0.671 . . . . 0.0 110.214 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . 0.471 ' CE1' ' HB3' ' A' ' 855' ' ' LYS . 48.5 t60 -68.08 -45.01 74.98 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.847 -1.069 . . . . 0.0 111.252 -178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.762 HG13 ' HB3' ' A' ' 789' ' ' ALA . 25.6 t -68.94 -39.12 79.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.91 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.49 -29.16 34.7 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -177.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -117.34 0.68 12.28 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -176.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 784' ' ' HIS . 87.7 m-70 -144.49 40.73 1.32 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.437 -175.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . 0.762 ' HB3' HG13 ' A' ' 785' ' ' VAL . . . -173.12 -67.83 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.666 0 O-C-N 123.473 0.483 . . . . 0.0 110.377 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.49 107.88 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.265 -178.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . . . . . . . . . . . 152.89 -55.25 0.44 Allowed Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.742 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . . . . . . . . . . . -161.37 150.27 16.12 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.473 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . 78.23 -117.74 4.74 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.798 -0.715 . . . . 0.0 111.749 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.473 ' HD3' ' HA3' ' A' ' 793' ' ' GLY . 4.5 Cg_exo -76.13 54.17 4.08 Favored 'Trans proline' 0 CA--C 1.528 0.215 0 C-N-CA 123.253 2.635 . . . . 0.0 111.632 176.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . . . . . . . . . . . -87.82 32.78 0.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.713 -174.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . -74.38 103.38 1.5 Allowed Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.411 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 797' ' ' ARG . 0.1 OUTLIER -90.89 106.19 18.34 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.181 0.515 . . . . 0.0 109.858 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . 0.451 ' HB3' ' HB3' ' A' ' 801' ' ' ALA . 0.6 OUTLIER -80.77 57.16 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.529 -176.8 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.45 -50.56 59.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.04 -175.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.34 -35.13 54.98 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.974 -176.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . 0.451 ' HB3' ' HB3' ' A' ' 798' ' ' TYR . . . -62.21 -51.08 69.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.457 -178.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.606 ' HA ' HD11 ' A' ' 778' ' ' LEU . 1.8 p -64.98 -39.99 94.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.885 0.374 . . . . 0.0 110.297 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -60.07 -50.36 74.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.984 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 62.0 m -59.07 -47.29 85.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.15 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.636 HG23 HD11 ' A' ' 829' ' ' LEU . 22.4 mt -60.31 -55.48 23.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.372 . . . . 0.0 110.679 179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.522 ' HG ' HD22 ' A' ' 778' ' ' LEU . 0.3 OUTLIER -55.79 -46.61 77.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.907 -179.318 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 93.6 m -63.3 -43.47 97.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.403 0.144 . . . . 0.0 111.099 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 825' ' ' GLN . 3.5 t -59.62 -47.34 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.746 0.307 . . . . 0.0 110.517 179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 1.4 m -61.6 -41.95 98.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -63.11 -33.63 75.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.562 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.06 -40.18 87.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.436 177.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.526 HG23 ' HG2' ' A' ' 822' ' ' MET . 3.2 mt -63.82 -37.47 79.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.959 176.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -60.03 -42.13 93.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.824 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.76 -33.9 52.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.929 -178.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 2.7 m -93.7 24.41 4.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.081 -179.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . . . . . . . . . 2.0 ttt -69.91 86.81 0.53 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 109.874 177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 158.99 -30.65 0.44 Allowed Glycine 0 N--CA 1.443 -0.882 0 N-CA-C 109.974 -1.25 . . . . 0.0 109.974 -175.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -98.58 96.94 8.3 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 172.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.647 ' HB3' ' HG3' ' A' ' 881' ' ' PRO . . . -61.36 -33.7 74.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.371 -176.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . . . . . . . . . . . -66.43 -49.1 58.8 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.873 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -63.86 -36.38 83.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.921 0.391 . . . . 0.0 110.421 177.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.526 ' HG2' HG23 ' A' ' 812' ' ' ILE . 31.0 mtp -62.19 -51.38 68.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.757 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.22 -38.87 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 0.0 110.481 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . 0.403 ' NH1' HE21 ' A' ' 825' ' ' GLN . 0.4 OUTLIER -54.84 -53.04 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.843 176.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 1.067 ' HA ' HD12 ' A' ' 828' ' ' ILE . 29.8 mm-40 -73.36 -31.86 64.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 -178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.0 76.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.964 0.412 . . . . 0.0 110.584 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -67.48 -38.42 84.37 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.411 176.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 1.067 HD12 ' HA ' ' A' ' 825' ' ' GLN . 7.1 mt -66.45 -40.65 87.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.32 0.581 . . . . 0.0 109.721 176.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.764 ' HG ' HG23 ' A' ' 867' ' ' THR . 14.0 tp -55.93 -48.97 74.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.601 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.28 82.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.036 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -61.86 -54.04 47.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.935 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -59.61 -40.34 87.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.853 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 837' ' ' VAL . 7.5 m -69.47 -39.46 77.68 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.407 -178.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . . . . . . . . . 44.7 m -60.09 -40.37 89.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.757 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.2 -36.76 77.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.767 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 14.6 tp -65.12 -51.78 59.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.704 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.766 HG12 ' HE3' ' A' ' 841' ' ' LYS . 76.6 t -62.53 -42.85 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.89 -178.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -61.09 -39.97 91.97 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.061 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . . . . . . . . . . . -62.83 -47.18 84.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.602 HD13 HD11 ' A' ' 781' ' ' LEU . 12.0 mt -66.54 -41.05 87.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.681 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . 0.766 ' HE3' HG12 ' A' ' 837' ' ' VAL . 3.1 mtmt -53.0 -47.54 68.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.196 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.5 -40.72 61.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.475 -177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.45 -33.11 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.959 -174.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . 0.48 ' HB3' HD21 ' A' ' 857' ' ' LEU . . . -77.44 -18.36 57.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.801 0.334 . . . . 0.0 111.142 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.27 61.47 2.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.13 0.49 . . . . 0.0 110.431 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . 157.04 45.95 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.64 165.92 11.58 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.978 0.418 . . . . 0.0 110.456 -176.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.66 -44.75 85.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.052 174.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -111.63 136.26 51.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.756 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.32 -26.5 35.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.282 -177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.27 -42.22 62.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.014 0.435 . . . . 0.0 109.843 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -65.62 -40.05 92.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.606 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' A' ' 856' ' ' LEU . 10.5 p -64.93 -43.39 92.93 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.23 -46.0 83.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.355 175.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . 0.471 ' HB3' ' CE1' ' A' ' 784' ' ' HIS . 0.0 OUTLIER -54.33 -40.89 68.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.669 0.747 . . . . 0.0 110.777 176.387 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 853' ' ' SER . 5.1 mt -64.0 -49.82 70.94 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.562 -1.199 . . . . 0.0 111.343 -177.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . 0.571 ' CD2' ' HA ' ' A' ' 841' ' ' LYS . 1.9 mt -75.65 -28.69 58.85 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.476 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . 0.547 ' O ' HG13 ' A' ' 862' ' ' ILE . 67.2 m -59.84 -48.2 82.64 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.695 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -62.64 -41.32 98.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.604 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.618 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.69 -36.22 82.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.783 177.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 10.2 mtmm -65.87 -39.45 90.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.314 177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.695 HD12 ' HA ' ' A' ' 859' ' ' ALA . 13.5 mt -63.26 -41.82 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.444 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.4 OUTLIER -53.17 -56.07 19.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.32 177.552 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -62.09 -41.29 98.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.549 -178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.0 -44.1 85.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.053 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.62 96.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.764 HG23 ' HG ' ' A' ' 829' ' ' LEU . 59.1 m -65.55 -33.16 75.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.581 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 872' ' ' GLU . . . -65.29 -41.19 94.37 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 120.954 0.407 . . . . 0.0 109.98 174.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -38.67 89.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.854 177.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.409 ' HG2' ' HA ' ' A' ' 771' ' ' ALA . 0.0 OUTLIER -64.7 -48.74 73.56 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.961 178.385 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -37.12 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.124 178.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 868' ' ' ALA . 0.0 OUTLIER -73.04 -37.77 66.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.69 -179.361 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -65.7 -46.8 77.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.805 177.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -60.73 -41.1 94.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.999 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.36 -46.95 59.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.967 179.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.28 -26.21 74.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.277 -175.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -99.36 3.78 46.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.729 0.299 . . . . 0.0 111.149 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.468 ' HB1' ' HB1' ' A' ' 819' ' ' ALA . . . -71.06 -22.65 62.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.69 179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . 54.27 -105.38 0.26 Allowed 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.878 -178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.89 87.34 2.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 120.907 0.384 . . . . 0.0 110.604 179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . 0.647 ' HG3' ' HB3' ' A' ' 819' ' ' ALA . 92.5 Cg_endo -83.21 49.42 3.0 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.97 2.447 . . . . 0.0 112.167 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -81.03 54.21 2.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.232 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 2.5 m -157.36 136.98 12.19 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.09 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -83.73 86.11 7.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.303 0.573 . . . . 0.0 110.622 -178.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -96.01 64.4 2.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.37 178.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -72.49 162.06 29.98 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.286 -175.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . 0.423 ' HB3' ' H ' ' A' ' 888' ' ' GLN . 2.5 mp0 64.22 -127.94 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.503 177.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . 0.423 ' H ' ' HB3' ' A' ' 887' ' ' GLN . 24.8 mt-30 57.45 34.98 25.38 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.444 0.64 . . . . 0.0 110.476 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.399 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 751' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 111.704 -0.558 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.59 102.71 9.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.919 0.39 . . . . 0.0 110.323 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -149.69 -39.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.982 -177.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 754' ' ' MET . . . . . . . . . . . . . 9.9 tpt -89.19 67.45 7.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.253 0.549 . . . . 0.0 109.763 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 755' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -129.16 133.73 47.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.195 -176.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -114.9 20.38 15.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.483 0.658 . . . . 0.0 109.286 175.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -83.7 33.4 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.245 -0.888 . . . . 0.0 111.462 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.32 -20.05 59.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.385 0.612 . . . . 0.0 110.105 176.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' GLU . . . . . 0.525 ' HG3' ' H ' ' A' ' 760' ' ' ASP . 0.8 OUTLIER -159.09 169.77 23.51 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.137 178.122 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' ASP . . . . . 0.525 ' H ' ' HG3' ' A' ' 759' ' ' GLU . 5.4 t70 -52.21 -48.19 65.22 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.081 0.467 . . . . 0.0 110.517 176.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' GLY . . . . . . . . . . . . . . . 173.78 154.95 11.18 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.959 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.77 -13.54 0.96 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.008 0.432 . . . . 0.0 110.385 175.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 763' ' ' LEU . 1.3 mm? -69.28 -58.32 4.18 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.795 -177.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.74 -24.67 31.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.926 0.393 . . . . 0.0 110.299 -179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -54.73 27.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.574 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' GLY . . . . . . . . . . . . . . . -91.14 -62.05 1.24 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.729 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' VAL . . . . . 0.403 HG21 ' HE1' ' A' ' 822' ' ' MET . 2.2 t -61.02 -41.4 89.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.543 0.211 . . . . 0.0 111.035 -177.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' GLY . . . . . . . . . . . . . . . -55.59 -52.66 46.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.091 178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' ALA . . . . . . . . . . . . . . . -60.3 -44.78 95.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.804 0.335 . . . . 0.0 111.003 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.98 97.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.221 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 772' ' ' THR . . . . . . . . . . . . . 23.8 m -63.42 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.388 178.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 773' ' ' ALA . . . . . . . . . . . . . . . -59.83 -45.26 92.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.807 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 774' ' ' VAL . . . . . 0.539 HG21 ' HG3' ' A' ' 870' ' ' MET . 78.1 t -63.49 -47.51 91.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.625 178.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . 0.401 HG23 HD21 ' A' ' 806' ' ' LEU . 11.8 m -56.46 -41.61 76.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.302 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.7 -42.04 52.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.295 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' ALA . . . . . . . . . . . . . . . -62.58 -43.83 97.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' LEU . . . . . 0.486 HD13 HG21 ' A' ' 805' ' ' ILE . 6.3 tp -62.29 -42.94 99.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.28 178.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -65.43 -35.79 81.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.448 177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.76 -45.54 93.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.459 176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' LEU . . . . . 0.671 HD11 HD13 ' A' ' 840' ' ' ILE . 1.3 tp -70.91 -44.28 66.52 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.888 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' LEU . . . . . 0.759 ' HG ' HG21 ' A' ' 802' ' ' THR . 1.4 mt -57.34 -48.42 79.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.744 -0.207 . . . . 0.0 111.102 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -68.28 -28.99 67.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.044 0.45 . . . . 0.0 110.534 179.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -76.44 -52.37 9.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.922 -178.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.406 HG23 ' HG ' ' A' ' 781' ' ' LEU . 98.3 t -64.33 -31.16 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.634 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' LYS . . . . . 0.574 ' HG3' ' HD2' ' A' ' 797' ' ' ARG . 6.8 ttmt -57.1 -28.41 62.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.864 -179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' ALA . . . . . . . . . . . . . . . -118.64 -24.61 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.761 0.315 . . . . 0.0 111.767 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' HIS . . . . . 0.498 ' HB3' ' OD1' ' A' ' 852' ' ' ASN . 92.9 m-70 -118.84 77.15 1.15 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.305 0.574 . . . . 0.0 111.246 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' ALA . . . . . . . . . . . . . . . -167.84 103.98 0.49 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.941 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 -37.72 16.27 Favored 'General case' 0 N--CA 1.438 -1.029 0 C-N-CA 120.146 -0.622 . . . . 0.0 110.528 -177.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' GLY . . . . . 0.611 ' HA2' ' HB2' ' A' ' 795' ' ' ALA . . . 130.86 120.24 2.18 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 119.728 -1.225 . . . . 0.0 114.06 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 843' ' ' ASP . . . -140.24 -39.51 0.44 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 169.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' GLY . . . . . 0.415 ' HA3' ' HD3' ' A' ' 794' ' ' PRO . . . -107.58 -113.69 3.76 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 175.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' PRO . . . . . 0.459 ' HG2' ' HB1' ' A' ' 839' ' ' ALA . 22.9 Cg_exo -65.6 -43.21 10.61 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 122.697 2.264 . . . . 0.0 112.099 175.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ALA . . . . . 0.611 ' HB2' ' HA2' ' A' ' 791' ' ' GLY . . . 63.8 174.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.086 -0.961 . . . . 0.0 112.305 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' GLY . . . . . . . . . . . . . . . 70.3 -83.79 0.34 Allowed Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.589 -0.732 . . . . 0.0 113.015 176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' ARG . . . . . 0.574 ' HD2' ' HG3' ' A' ' 786' ' ' LYS . 3.1 mtp180 -160.09 155.84 25.87 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -117.13 57.99 0.78 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.6 -40.57 83.58 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.141 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' GLN . . . . . 0.437 ' NE2' ' HA ' ' A' ' 800' ' ' GLN . 0.9 OUTLIER -65.25 -37.03 85.96 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.861 0.363 . . . . 0.0 110.583 -179.041 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' ALA . . . . . 0.458 ' O ' HD12 ' A' ' 805' ' ' ILE . . . -68.04 -50.33 56.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.389 178.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' THR . . . . . 0.759 HG21 ' HG ' ' A' ' 782' ' ' LEU . 1.5 p -64.21 -40.37 95.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -59.68 -46.09 90.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' THR . . . . . . . . . . . . . 47.2 m -59.35 -46.15 89.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.779 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' ILE . . . . . 0.486 HG21 HD13 ' A' ' 778' ' ' LEU . 4.0 mt -64.34 -57.47 11.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.042 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 778' ' ' LEU . 1.8 mt -54.79 -44.03 73.39 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.354 0.409 . . . . 0.0 111.701 -175.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' THR . . . . . . . . . . . . . 30.0 m -59.4 -36.17 75.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 829' ' ' LEU . 8.7 t -73.45 -47.67 44.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.975 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.7 -43.11 99.65 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.399 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -38.91 86.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.719 175.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.56 -44.87 93.15 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.956 177.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' ILE . . . . . 0.459 HG21 ' HE3' ' A' ' 870' ' ' MET . 1.4 mt -58.91 -35.62 57.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.918 -178.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -66.73 -44.33 81.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.884 0.373 . . . . 0.0 110.53 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.05 -32.54 69.29 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.59 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' SER . . . . . . . . . . . . . 1.3 m -96.21 14.45 24.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.992 -178.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' MET . . . . . 0.403 ' HA ' ' SD ' ' A' ' 822' ' ' MET . 3.5 ttm -59.12 116.94 4.18 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 121.118 0.485 . . . . 0.0 110.557 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' GLY . . . . . . . . . . . . . . . 127.0 -42.36 1.48 Allowed Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 110.322 -1.111 . . . . 0.0 110.322 -175.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -86.88 75.84 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' ALA . . . . . 0.593 ' HB1' ' HA ' ' A' ' 878' ' ' ALA . . . -56.92 -29.74 63.34 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.644 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' GLY . . . . . 0.582 ' H ' ' HB3' ' A' ' 880' ' ' HIS . . . -61.83 -48.01 86.59 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.508 178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -69.7 -39.15 77.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.937 0.398 . . . . 0.0 110.01 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' MET . . . . . 0.55 ' HB2' ' HA ' ' A' ' 819' ' ' ALA . 22.7 mtp -56.04 -45.08 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.222 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 819' ' ' ALA . 56.9 t -63.61 -39.88 87.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.957 0.408 . . . . 0.0 110.829 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -63.04 -48.16 79.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.054 177.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' GLN . . . . . 0.647 ' HA ' HD12 ' A' ' 828' ' ' ILE . 0.2 OUTLIER -60.74 -43.03 98.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.087 178.536 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' ALA . . . . . . . . . . . . . . . -61.73 -33.34 73.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.184 178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 827' ' ' ARG . 0.0 OUTLIER -65.7 -40.07 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.009 0.433 . . . . 0.0 110.089 177.237 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' ILE . . . . . 0.647 HD12 ' HA ' ' A' ' 825' ' ' GLN . 6.0 mt -65.96 -39.52 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.985 175.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' LEU . . . . . 0.821 ' HG ' HG23 ' A' ' 867' ' ' THR . 14.2 tp -57.29 -48.72 78.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.504 176.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' ALA . . . . . 0.437 ' HA ' ' CG2' ' A' ' 867' ' ' THR . . . -57.98 -39.99 79.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -51.66 57.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.912 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.78 86.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.805 -175.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' THR . . . . . . . . . . . . . 6.4 m -67.59 -36.28 80.58 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 830' ' ' ALA . 0.2 OUTLIER -63.35 -34.58 78.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.105 0.478 . . . . 0.0 110.181 179.495 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.81 -37.37 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.299 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' LEU . . . . . . . . . . . . . 10.3 tp -64.17 -51.67 62.67 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.077 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' VAL . . . . . 0.743 HG13 ' HB1' ' A' ' 860' ' ' ALA . 80.5 t -61.93 -40.02 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.191 -176.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -65.47 -32.77 74.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.765 0.317 . . . . 0.0 111.119 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' ALA . . . . . 0.459 ' HB1' ' HG2' ' A' ' 794' ' ' PRO . . . -65.09 -47.66 76.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.326 177.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' ILE . . . . . 0.671 HD13 HD11 ' A' ' 781' ' ' LEU . 4.9 mt -65.93 -33.64 64.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.445 178.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -45.71 91.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.67 177.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -70.61 -33.14 70.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.984 179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' ASP . . . . . 0.404 ' OD2' ' HD2' ' A' ' 794' ' ' PRO . 0.3 OUTLIER -68.81 -49.03 61.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.57 178.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' ALA . . . . . . . . . . . . . . . -69.36 -19.4 63.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.405 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.26 -35.63 77.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.444 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' GLY . . . . . . . . . . . . . . . -125.43 39.55 2.04 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.045 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.78 154.46 41.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.821 0.343 . . . . 0.0 110.092 178.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' SER . . . . . . . . . . . . . 4.2 m -77.22 -28.97 53.97 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.993 178.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' ASP . . . . . 0.53 ' HB3' ' HB3' ' A' ' 852' ' ' ASN . 27.2 t70 -106.77 117.9 35.26 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.409 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -74.75 -16.68 60.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 0.0 110.73 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.54 -45.14 22.57 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.637 173.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' ASN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 849' ' ' ASP . 24.1 t30 -60.67 -37.39 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.556 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' SER . . . . . . . . . . . . . 77.5 p -57.29 -43.29 83.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.859 0.362 . . . . 0.0 110.461 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -62.7 -43.27 99.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 855' ' ' LYS . . . . . . . . . . . . . 10.4 mmtm -59.92 -45.36 92.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.684 0.754 . . . . 0.0 110.089 177.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 856' ' ' LEU . . . . . 0.419 ' HA ' HD23 ' A' ' 856' ' ' LEU . 9.0 mt -57.19 -49.78 74.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.52 -177.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 857' ' ' LEU . . . . . . . . . . . . . 4.3 mt -76.02 -25.06 55.35 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.709 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 858' ' ' SER . . . . . . . . . . . . . 57.8 m -64.58 -45.4 87.15 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 859' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 862' ' ' ILE . . . -69.04 -38.84 79.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.373 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 860' ' ' ALA . . . . . 0.743 ' HB1' HG13 ' A' ' 837' ' ' VAL . . . -62.34 -35.69 79.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.096 178.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 861' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -44.07 97.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.525 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 862' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 859' ' ' ALA . 10.5 mt -64.47 -37.86 81.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.005 178.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 863' ' ' LEU . . . . . 0.504 ' HA ' HD13 ' A' ' 863' ' ' LEU . 0.2 OUTLIER -54.27 -55.6 26.63 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.459 176.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 864' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 837' ' ' VAL . . . -66.72 -41.58 87.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.614 -177.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 865' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.47 -50.71 66.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.276 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 866' ' ' ALA . . . . . . . . . . . . . . . -62.89 -33.4 75.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.891 0.377 . . . . 0.0 110.773 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 867' ' ' THR . . . . . 0.821 HG23 ' HG ' ' A' ' 829' ' ' LEU . 58.9 m -65.46 -41.4 93.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 177.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 868' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.39 80.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.894 0.378 . . . . 0.0 110.116 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 869' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -39.59 93.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.925 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 870' ' ' MET . . . . . 0.539 ' HG3' HG21 ' A' ' 774' ' ' VAL . 0.0 OUTLIER -58.81 -51.59 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.459 176.611 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 871' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.05 -39.64 84.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.923 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 872' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -70.45 -47.56 60.1 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.13 -177.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 873' ' ' ALA . . . . . . . . . . . . . . . -68.71 -38.63 80.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.601 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 874' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.88 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.973 0.416 . . . . 0.0 110.835 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 875' ' ' LYS . . . . . 0.41 ' HE2' HG13 ' A' ' 823' ' ' VAL . 17.9 mttm -75.62 -28.08 58.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.506 178.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 876' ' ' GLY . . . . . . . . . . . . . . . -69.51 -39.89 79.01 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.941 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 877' ' ' ALA . . . . . . . . . . . . . . . -93.57 38.83 1.06 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.131 0.491 . . . . 0.0 110.794 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 878' ' ' ALA . . . . . 0.593 ' HA ' ' HB1' ' A' ' 819' ' ' ALA . . . -76.08 85.69 2.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.32 0.581 . . . . 0.0 111.193 -179.074 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 879' ' ' ALA . . . . . . . . . . . . . . . -85.41 -11.73 53.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.324 174.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 880' ' ' HIS . . . . . 0.582 ' HB3' ' H ' ' A' ' 820' ' ' GLY . 1.1 t-80 -121.63 92.14 48.64 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.755 178.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 881' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.57 135.76 66.63 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.636 2.224 . . . . 0.0 111.823 179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 882' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -74.73 71.92 1.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.705 0.765 . . . . 0.0 110.31 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 883' ' ' SER . . . . . . . . . . . . . 68.5 m -135.85 23.34 3.34 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.403 178.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 884' ' ' GLU . . . . . 0.514 ' H ' ' HG2' ' A' ' 884' ' ' GLU . 0.0 OUTLIER -76.96 -39.93 48.8 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.461 -177.25 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 885' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 55.99 -101.64 0.13 Allowed 'General case' 0 C--O 1.232 0.152 0 O-C-N 123.717 0.636 . . . . 0.0 110.562 -179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 886' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.83 139.49 41.76 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.036 -0.728 . . . . 0.0 109.036 173.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 887' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -75.74 67.31 2.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.097 0.475 . . . . 0.0 111.149 -177.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 888' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.94 138.03 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.167 178.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 889' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.003 -0.998 . . . . 0.0 109.499 178.795 . . . . . . . . 1 1 . 1 stop_ save_